data_2lr3_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lr3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.501 -0.185 . . . . 73.41 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.2 m -67.15 112.13 4.28 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.176 -0.675 . . . . 75.21 109.176 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 t -118.24 131.98 56.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.558 -0.746 . . . . 53.21 110.157 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.84 149.23 37.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 75.4 110.204 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -144.64 -177.34 5.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.816 . . . . 44.33 109.59 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -114.65 147.83 39.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.978 -0.379 . . . . 73.04 109.978 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -114.2 99.74 7.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.699 0.761 . . . . 64.32 109.886 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -95.83 3.8 53.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.986 -1.007 . . . . 74.2 109.009 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -83.89 -37.82 21.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.936 -1.029 . . . . 71.23 109.365 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.44 141.71 58.23 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.691 -0.686 . . . . 72.33 109.991 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 8.8 mtpm? -82.14 105.68 13.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 41.4 111.928 -173.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.48 -147.74 22.43 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.989 -0.551 . . . . 63.52 112.998 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.0 -179.03 4.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.013 2.475 . . . . 71.22 111.704 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.413 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.9 m -75.56 90.2 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.708 -0.224 . . . . 72.15 110.537 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.58 66.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.068 0.461 . . . . 73.41 109.83 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -159.95 140.12 11.69 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.469 -0.787 . . . . 60.55 109.839 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.44 -50.77 64.56 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.603 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.57 -32.13 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.883 -0.599 . . . . 72.41 110.662 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.491 HD21 ' N ' ' A' ' 19' ' ' ASN . 0.8 OUTLIER -71.74 -51.84 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 71.33 110.097 -178.194 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.59 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.811 -0.44 . . . . 72.21 109.811 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 32' ' ' GLY . . . -63.73 -51.09 66.5 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.705 -0.68 . . . . 72.35 110.141 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.441 ' O ' HG22 ' A' ' 26' ' ' THR . 31.1 t -55.26 -50.07 70.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 74.31 109.868 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.14 -55.74 14.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 CA-C-O 121.244 0.545 . . . . 62.4 110.741 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.1 t -60.19 -25.58 65.68 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.39 -0.823 . . . . 71.13 110.735 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.98 -25.07 21.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.538 -0.301 . . . . 75.43 111.614 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 22' ' ' SER . 31.5 p -78.89 -30.99 45.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.675 0.274 . . . . 74.13 110.33 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.06 -43.08 12.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.796 -0.362 . . . . 75.14 111.371 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -143.47 179.95 6.79 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.618 0.247 . . . . 75.44 110.384 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.19 91.96 4.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.125 0.488 . . . . 70.41 110.188 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.0 p -165.64 114.78 1.01 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.558 -0.746 . . . . 65.23 109.353 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.86 126.1 17.1 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.555 -0.748 . . . . 71.13 112.129 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.429 ' O ' ' HB1' ' A' ' 21' ' ' ALA . . . -114.3 145.02 18.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.491 -0.861 . . . . 42.12 113.386 -170.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -151.61 -179.6 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.827 0.851 . . . . 74.13 109.005 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 40' ' ' ARG . 30.7 t -114.5 142.98 45.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.829 0.347 . . . . 61.24 110.817 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.01 105.96 0.45 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.745 -0.835 . . . . 63.53 108.745 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -80.16 0.67 Allowed Glycine 0 C--N 1.318 -0.472 0 CA-C-N 115.52 -0.764 . . . . 55.12 111.49 -173.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 27.9 t80 176.91 137.02 0.06 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.182 -0.673 . . . . 71.21 109.182 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 14' ' ' CYS . 13.0 mmm180 72.96 -27.4 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.05 0.759 . . . . 72.2 113.05 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -66.53 -69.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.684 0.624 . . . . 73.43 112.684 -168.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 13.9 tpp180 -158.44 139.63 13.23 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 121.105 -0.238 . . . . 73.34 110.468 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.16 126.26 39.28 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.444 0.64 . . . . 74.34 112.272 -171.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -117.77 145.28 44.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.93 . . . . 64.02 109.723 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.66 140.38 48.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.67 0.271 . . . . 45.24 110.284 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -115.7 137.18 52.34 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.514 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -158.38 -179.58 8.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 64.42 109.291 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -101.23 100.2 10.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.073 0.464 . . . . 74.2 110.929 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.713 -0.676 . . . . 63.22 109.245 175.124 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.376 -0.231 . . . . 73.41 110.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.2 m -93.17 125.83 37.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.802 -0.444 . . . . 75.21 109.802 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 53.3 t -114.83 99.95 7.86 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.987 -0.746 . . . . 53.21 108.987 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 12.9 pt-20 -116.79 140.36 49.53 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 75.4 112.022 -175.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -117.24 -169.89 1.74 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.73 -1.123 . . . . 44.33 108.814 174.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -115.23 163.43 15.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.608 -0.515 . . . . 73.04 109.608 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 t -114.12 141.06 47.96 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.284 -0.635 . . . . 64.32 109.284 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -138.4 5.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 74.2 110.911 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -94.14 -33.46 13.32 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.738 -0.468 . . . . 71.23 109.738 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.07 137.44 57.98 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.847 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.94 124.68 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.838 -0.619 . . . . 41.4 110.614 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.94 139.8 9.49 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.287 -0.482 . . . . 63.52 112.549 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.38 86.34 0.82 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.323 2.015 . . . . 71.22 111.663 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.6 m 65.49 35.89 7.0 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.642 -0.708 . . . . 72.15 110.987 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.93 -42.89 63.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.933 -0.576 . . . . 73.41 111.215 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -148.04 125.43 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.846 -0.798 . . . . 60.55 108.846 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -64.42 -43.19 95.13 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.222 0.453 . . . . 74.24 112.222 -172.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -63.88 -49.69 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.442 0.639 . . . . 72.41 109.57 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.55 -46.1 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.963 -1.017 . . . . 71.33 109.947 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 t -53.31 -48.66 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.065 -0.971 . . . . 72.21 110.465 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.97 83.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.726 -0.67 . . . . 72.35 111.068 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 t -59.96 -53.82 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.608 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.55 -39.4 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 116.071 -0.513 . . . . 62.4 110.964 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 45.1 t -65.49 -38.99 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 71.13 110.365 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.76 -31.02 67.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.635 -0.257 . . . . 75.43 110.861 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -72.66 -35.7 67.78 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.919 -0.312 . . . . 74.13 110.646 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 8.8 pt-20 -74.79 -50.09 18.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.209 -0.597 . . . . 75.14 110.476 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 28.4 mmm180 -140.29 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.642 0.377 . . . . 75.44 110.07 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -63.79 92.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.47 0.652 . . . . 70.41 110.293 176.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.464 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 13.6 p -167.89 117.04 0.78 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.678 -1.146 . . . . 65.23 108.871 -177.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 138.5 49.12 Favored Glycine 0 C--O 1.221 -0.685 0 N-CA-C 111.238 -0.745 . . . . 71.13 111.238 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.1 128.83 8.43 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 119.659 -1.257 . . . . 42.12 113.496 -166.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -134.51 172.56 12.75 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.899 -0.778 . . . . 74.13 108.899 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -115.44 138.07 51.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.004 -0.369 . . . . 61.24 110.004 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.98 128.58 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.628 -0.879 . . . . 63.53 108.628 171.391 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.83 -72.55 0.52 Allowed Glycine 0 CA--C 1.518 0.266 0 O-C-N 123.34 0.4 . . . . 55.12 114.015 -173.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -71.81 -30.06 65.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.998 0.428 . . . . 71.21 110.69 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.46 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 8.3 tpt180 -69.92 -28.25 65.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 72.2 109.899 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 47.84 63.69 1.92 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.483 -0.78 . . . . 73.43 110.927 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -159.11 147.3 17.9 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.65 -0.705 . . . . 73.34 110.139 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 m -73.83 113.8 11.4 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.394 -0.821 . . . . 74.34 111.943 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -119.54 138.11 53.39 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.495 -0.928 . . . . 64.02 108.495 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 61.8 m -122.13 149.4 43.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.251 -0.431 . . . . 45.24 110.991 -171.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.413 HG22 ' HB3' ' A' ' 4' ' ' GLU . 40.3 p -114.47 143.7 44.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.17 0.51 . . . . 64.24 110.49 -175.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.464 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 13.6 t -142.37 -179.81 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.379 -0.828 . . . . 64.42 109.804 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -99.93 100.35 11.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.061 -0.518 . . . . 74.2 110.351 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 3' ' ' CYS . 81.2 m . . . . . 0 C--O 1.248 1.013 0 N-CA-C 109.299 -0.63 . . . . 63.22 109.299 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.558 0.218 . . . . 73.41 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.3 m -73.63 124.14 25.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.77 -0.456 . . . . 75.21 109.77 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -114.95 149.4 37.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.951 -0.568 . . . . 53.21 109.685 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.73 150.47 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.978 0.418 . . . . 75.4 110.055 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -152.7 -170.32 3.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 44.33 109.189 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 57.5 tt0 -135.37 157.43 46.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.76 -0.459 . . . . 73.04 109.76 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.4 t -114.52 119.44 36.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.464 0.65 . . . . 64.32 109.839 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -110.7 -3.3 15.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 74.2 109.653 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.39 -26.49 51.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.296 -0.865 . . . . 71.23 110.026 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -69.35 159.53 32.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.51 -0.768 . . . . 72.33 110.531 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -94.02 108.35 20.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.279 -0.418 . . . . 41.4 110.946 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.98 -157.6 48.79 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.382 -0.437 . . . . 63.52 112.518 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.44 -177.45 3.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.963 2.442 . . . . 71.22 111.843 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.28 88.76 0.08 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.051 -0.522 . . . . 72.15 110.751 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.86 -34.49 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.611 -0.722 . . . . 73.41 110.56 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 m -144.32 129.49 18.67 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.005 -0.543 . . . . 60.55 110.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.76 -57.73 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 74.24 110.997 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -57.0 -46.1 82.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.802 -0.636 . . . . 72.41 110.51 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.89 -52.96 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 71.33 110.502 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -45.8 90.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.148 0.499 . . . . 72.21 110.24 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.49 -45.34 94.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.471 -0.786 . . . . 72.35 110.662 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -61.87 -46.42 89.51 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.081 0.467 . . . . 74.31 110.319 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -57.85 -49.25 81.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 115.968 -0.56 . . . . 62.4 110.643 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 48.8 t -62.2 -43.64 98.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.301 -0.409 . . . . 71.13 110.631 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 99.6 mt-30 -65.12 -33.7 76.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.586 -0.279 . . . . 75.43 111.181 -178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -74.4 -41.93 60.09 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.548 -0.296 . . . . 74.13 110.863 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.58 -35.86 75.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.462 -0.495 . . . . 75.14 110.478 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.448 HH22 HG21 ' A' ' 45' ' ' THR . 73.0 ttp85 -172.71 122.27 0.42 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.533 0.333 . . . . 75.44 110.122 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -44.08 101.8 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.481 0.657 . . . . 70.41 112.19 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.8 m -158.74 117.12 2.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.638 -1.245 . . . . 65.23 107.638 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -48.8 147.57 5.33 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.818 -0.628 . . . . 71.13 112.148 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.53 118.32 4.34 Favored Glycine 0 C--O 1.235 0.193 0 C-N-CA 120.703 -0.761 . . . . 42.12 112.303 -172.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -124.54 154.98 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.11 -0.7 . . . . 74.13 109.11 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -114.98 107.97 16.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.005 0.431 . . . . 61.24 110.362 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -136.87 145.45 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.333 -0.618 . . . . 63.53 109.333 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.87 166.59 12.09 Favored Glycine 0 C--O 1.234 0.106 0 C-N-CA 121.245 -0.502 . . . . 55.12 111.987 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -54.42 -40.68 68.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.831 0.348 . . . . 71.21 111.325 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -109.73 21.74 16.55 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.362 -0.381 . . . . 72.2 110.194 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 56.78 78.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 73.43 110.547 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -82.53 156.99 23.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.0 -0.37 . . . . 73.34 110.0 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.5 109.9 18.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.953 -0.567 . . . . 74.34 109.955 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 68.3 m-85 -114.72 139.06 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.49 -0.559 . . . . 64.02 109.49 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 74.4 m -114.72 142.85 45.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.251 -0.431 . . . . 45.24 111.365 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -114.81 117.8 31.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.704 -0.68 . . . . 64.24 109.938 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.448 HG21 HH22 ' A' ' 28' ' ' ARG . 14.1 t -124.51 -179.8 4.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.143 -0.935 . . . . 64.42 109.323 -176.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -125.77 114.94 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.852 0.358 . . . . 74.2 110.912 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.255 -0.878 . . . . 63.22 109.77 178.382 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 1' ' ' ARG . 4.6 mmp_? . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.734 0.302 . . . . 73.41 110.955 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.0 m -93.34 158.67 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.923 -0.769 . . . . 75.21 108.923 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.59 100.16 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.79 -0.818 . . . . 53.21 108.79 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.21 152.79 38.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.546 . . . . 75.4 110.73 -173.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -157.51 -169.85 3.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 44.33 109.849 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 45.9 tt0 -122.12 144.44 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.571 0.348 . . . . 73.04 110.21 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.0 p -114.68 135.19 54.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.945 0.402 . . . . 64.32 110.567 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -126.87 6.45 6.65 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.316 -0.402 . . . . 74.2 110.574 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HZ2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.71 -33.31 74.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.077 -0.712 . . . . 71.23 109.077 174.072 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.98 143.64 51.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 114.838 -1.074 . . . . 72.33 110.588 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -84.33 115.16 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 41.4 111.221 -174.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.1 -157.48 49.01 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.294 -0.866 . . . . 63.52 113.59 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.09 165.39 32.1 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.774 2.316 . . . . 71.22 111.854 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.5 85.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 72.15 111.671 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.14 64.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.219 0.533 . . . . 73.41 109.858 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -140.77 117.24 10.8 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.577 -0.738 . . . . 60.55 109.999 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.26 -35.67 76.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.43 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -66.23 -42.61 88.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.076 0.465 . . . . 72.41 109.94 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -66.21 -45.64 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 71.33 109.759 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.7 t -55.81 -42.6 75.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.589 -0.732 . . . . 72.21 110.252 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.74 -53.27 59.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.742 -0.663 . . . . 72.35 110.885 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -56.25 -47.43 78.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 74.31 110.626 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 55.0 t -57.72 -51.5 69.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 115.871 -0.604 . . . . 62.4 110.725 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 29' ' ' PHE . 44.3 t -59.41 -35.58 74.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.895 -0.593 . . . . 71.13 111.052 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.568 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 79.7 mt-30 -72.69 -32.53 65.85 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.213 -0.448 . . . . 75.43 111.005 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.1 p -73.92 -29.64 62.15 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.112 -0.329 . . . . 74.13 110.112 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 31.2 mt-10 -64.49 -78.13 0.05 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.293 -0.412 . . . . 75.14 110.75 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -153.86 -41.12 0.09 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.52 -0.309 . . . . 75.44 111.681 -175.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.737 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 51.6 m-85 -75.13 152.24 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 70.41 111.33 -168.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -84.64 -22.79 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.784 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.74 149.01 19.61 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.69 -0.564 . . . . 71.13 111.69 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.41 138.38 5.94 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.254 -0.738 . . . . 42.12 111.254 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HG2' ' H ' ' A' ' 34' ' ' CYS . 48.5 ttp85 -165.25 -179.06 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.429 -0.582 . . . . 74.13 109.429 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.571 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 13.9 m -114.05 136.8 52.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.14 0.495 . . . . 61.24 110.27 -169.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.91 112.44 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.461 -0.79 . . . . 63.53 111.997 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.87 -114.11 0.28 Allowed Glycine 0 N--CA 1.463 0.45 0 CA-C-N 114.695 -1.139 . . . . 55.12 114.321 174.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.64 -2.13 28.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 71.21 110.851 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -66.35 -27.8 68.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.14 -0.482 . . . . 72.2 110.405 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 64.2 20.62 12.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.833 -0.622 . . . . 73.43 111.073 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -98.52 134.48 41.42 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.938 -0.574 . . . . 73.34 109.68 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -76.22 118.99 19.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.299 0.481 . . . . 74.34 112.299 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 67.1 m-85 -117.0 158.75 23.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.453 -0.794 . . . . 64.02 108.871 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -130.16 146.32 51.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.386 -0.37 . . . . 45.24 111.474 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.2 p -120.67 139.8 52.52 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.512 -0.767 . . . . 64.24 110.665 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.8 t -158.65 -179.69 8.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.713 -0.676 . . . . 64.42 109.249 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -115.54 129.96 56.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.748 0.308 . . . . 74.2 110.294 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.687 -0.486 . . . . 63.22 109.687 -179.267 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.55 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 1.5 mmp_? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.23 0.538 . . . . 73.41 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 m -140.4 145.03 36.53 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.562 -0.744 . . . . 75.21 109.857 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -114.94 142.03 47.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 53.21 110.062 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HB3' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -128.19 150.01 50.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 75.4 110.447 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -142.18 -177.01 5.03 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.309 -0.626 . . . . 44.33 109.309 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.639 ' NE2' ' HD2' ' A' ' 40' ' ' ARG . 51.4 tt0 -114.23 146.77 39.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.457 -0.571 . . . . 73.04 109.457 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.2 m -114.17 99.69 7.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.327 0.584 . . . . 64.32 110.103 -172.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -113.3 20.46 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.331 -0.85 . . . . 74.2 110.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HZ3' ' CD ' ' A' ' 27' ' ' GLU . 39.0 ttmt -84.62 -28.08 26.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.364 -0.835 . . . . 71.23 109.149 172.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -68.13 142.94 55.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.989 -1.005 . . . . 72.33 109.795 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -76.82 111.23 12.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 41.4 110.775 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.45 174.02 29.78 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.045 -0.525 . . . . 63.52 112.512 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.71 43.0 1.27 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.227 2.618 . . . . 71.22 112.436 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t 64.0 108.34 0.03 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.265 0.555 . . . . 72.15 110.678 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . . . -93.48 -55.34 3.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 73.41 110.426 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -120.24 123.9 44.35 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.957 -0.565 . . . . 60.55 110.952 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 14.6 t70 -47.64 -58.87 3.75 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.211 -0.904 . . . . 74.24 111.168 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -55.14 -41.18 71.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.8 -0.636 . . . . 72.41 111.504 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -68.43 -46.83 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 71.33 111.068 -174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.74 -40.8 97.61 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.482 -0.562 . . . . 72.21 109.482 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.28 -49.16 78.71 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.31 -0.859 . . . . 72.35 110.674 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.1 t -61.92 -41.79 98.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.282 -177.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -56.73 -52.2 57.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.195 0.522 . . . . 62.4 110.235 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.84 -33.95 69.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.514 -0.766 . . . . 71.13 110.349 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -77.14 -30.63 55.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.798 -0.637 . . . . 75.43 111.521 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.7 p -77.16 -33.95 56.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.551 0.215 . . . . 74.13 110.947 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' CD ' ' HZ3' ' A' ' 9' ' ' LYS . 10.7 pt-20 -77.33 -50.11 13.51 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.659 -0.416 . . . . 75.14 110.813 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -142.81 -174.17 4.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.952 0.406 . . . . 75.44 110.671 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.78 99.42 9.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.459 0.647 . . . . 70.41 109.94 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 t -162.92 112.94 1.4 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.912 -1.04 . . . . 65.23 108.515 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.09 123.34 32.29 Favored Glycine 0 C--O 1.23 -0.142 0 CA-C-N 115.986 -0.552 . . . . 71.13 112.016 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.57 149.65 18.77 Favored Glycine 0 C--O 1.234 0.148 0 C-N-CA 120.831 -0.699 . . . . 42.12 112.955 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -145.06 169.0 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.154 0.581 . . . . 74.13 110.011 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 7.0 t -114.61 100.32 8.19 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.601 -0.518 . . . . 61.24 109.601 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.626 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -153.36 157.7 40.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.574 -0.739 . . . . 63.53 109.392 -173.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.33 -150.31 19.88 Favored Glycine 0 N--CA 1.452 -0.261 0 N-CA-C 111.647 -0.581 . . . . 55.12 111.647 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -63.72 -58.36 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.412 -0.588 . . . . 71.21 109.412 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -118.52 -60.72 1.75 Allowed 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.32 -0.855 . . . . 72.2 109.581 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' NH2' ' HA ' ' A' ' 15' ' ' ALA . 57.8 mtp180 -151.89 110.56 3.81 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.683 -0.69 . . . . 73.43 110.641 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.639 ' HD2' ' NE2' ' A' ' 6' ' ' GLN . 27.2 mtm180 -142.28 174.88 10.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.552 -0.749 . . . . 73.34 109.443 173.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.3 t -128.5 132.98 48.35 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.504 -0.554 . . . . 74.34 109.504 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.37 141.37 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.631 -0.259 . . . . 64.02 110.73 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.8 m -115.79 150.01 37.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.22 -0.445 . . . . 45.24 110.282 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.412 HG21 ' HB3' ' A' ' 4' ' ' GLU . 31.5 p -132.55 130.08 39.88 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 116.301 -0.409 . . . . 64.24 111.327 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.7 t -142.48 165.06 28.44 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.804 -0.635 . . . . 64.42 109.479 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.48 139.35 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 74.2 111.527 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.165 -0.922 . . . . 63.22 109.434 173.117 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.812 0.339 . . . . 73.41 110.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.9 m -79.03 132.32 36.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.182 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -117.44 158.45 24.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.938 -0.393 . . . . 53.21 109.938 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.17 162.72 24.03 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.168 0.509 . . . . 75.4 110.807 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -143.89 175.74 9.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.325 -0.852 . . . . 44.33 109.061 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -114.57 145.3 42.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.709 -0.478 . . . . 73.04 109.709 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -114.66 107.91 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.178 0.513 . . . . 64.32 110.324 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -112.7 11.83 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.41 -0.814 . . . . 74.2 109.317 171.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -76.55 -42.8 41.64 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.197 -1.038 . . . . 71.23 108.197 172.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.5 130.93 48.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.514 -0.766 . . . . 72.33 109.648 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.692 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 8.7 mtpm? -121.29 140.6 51.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 41.4 110.589 -175.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.91 -158.69 14.16 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 116.128 -0.487 . . . . 63.52 112.361 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.73 115.4 3.84 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.752 2.302 . . . . 71.22 111.56 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 41' ' ' CYS . 16.0 t -80.23 68.67 6.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.407 0.623 . . . . 72.15 109.779 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.68 -40.51 5.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.378 -0.828 . . . . 73.41 109.517 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -79.7 81.55 5.94 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-O 121.556 0.693 . . . . 60.55 110.257 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -58.13 -35.69 71.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.323 -0.853 . . . . 74.24 110.565 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.4 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.464 -0.569 . . . . 72.41 109.464 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.82 -51.14 61.47 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 71.33 109.662 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -61.57 -37.81 85.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.039 -0.528 . . . . 72.21 110.161 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.31 -48.48 79.65 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.884 -0.598 . . . . 72.35 110.534 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -55.38 -50.84 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.052 -0.522 . . . . 74.31 109.685 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.03 -53.58 26.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 115.441 -0.8 . . . . 62.4 110.837 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.36 -35.51 74.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.866 -0.606 . . . . 71.13 110.548 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 77.7 mt-30 -77.32 -30.08 53.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.128 -0.487 . . . . 75.43 111.454 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -76.48 -29.18 56.76 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.89 0.376 . . . . 74.13 110.118 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.31 -61.25 2.0 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.027 -0.533 . . . . 75.14 111.577 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -129.85 178.9 6.18 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.151 0.501 . . . . 75.44 111.467 -174.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -93.1 88.63 6.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.635 0.731 . . . . 70.41 109.449 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.419 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 13.1 p -165.3 116.68 1.12 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.42 -1.264 . . . . 65.23 108.829 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 151.22 37.96 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.593 -0.731 . . . . 71.13 111.57 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.85 145.75 18.7 Favored Glycine 0 C--O 1.236 0.219 0 C-N-CA 120.648 -0.787 . . . . 42.12 112.989 -173.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -161.89 143.27 11.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.553 -0.536 . . . . 74.13 109.553 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 41' ' ' CYS . 40.8 t -114.61 122.89 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.429 -0.582 . . . . 61.24 109.429 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 18.4 tpt180 -82.13 127.14 32.84 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.012 0.434 . . . . 63.53 110.263 -174.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.23 65.73 4.02 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.69 -0.686 . . . . 55.12 114.406 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -92.6 -87.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.291 -1.003 . . . . 71.21 108.291 167.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -111.14 -56.33 2.38 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 108.601 -0.888 . . . . 72.2 108.601 167.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -177.59 110.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.611 -0.722 . . . . 73.43 109.937 172.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -159.3 120.71 3.31 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.582 -0.525 . . . . 73.34 109.582 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.436 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 21.8 t -91.92 152.21 20.16 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.866 -0.607 . . . . 74.34 110.591 -176.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -140.97 151.25 44.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.585 -0.734 . . . . 64.02 109.773 -177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 92.8 m -124.76 137.18 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.041 -0.355 . . . . 45.24 110.041 178.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.82 140.82 48.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.848 0.356 . . . . 64.24 110.472 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -147.41 -179.98 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 64.42 110.212 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -112.12 118.26 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.282 0.233 . . . . 74.2 110.894 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.9 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.7 -0.666 . . . . 63.22 110.141 176.466 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.599 ' HG2' ' HB2' ' A' ' 47' ' ' CYS . 45.2 ttp180 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.224 0.535 . . . . 73.41 109.733 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.0 m -117.32 135.51 53.79 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.765 -0.652 . . . . 75.21 110.31 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 96.2 m -114.68 136.52 52.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.363 -0.38 . . . . 53.21 110.202 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.444 ' HB3' HG22 ' A' ' 44' ' ' THR . 13.5 pt-20 -114.91 108.87 17.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.744 0.783 . . . . 75.4 110.426 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -101.3 -169.47 1.7 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.954 -1.021 . . . . 44.33 109.547 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 59.8 tt0 -114.6 160.34 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.428 -0.582 . . . . 73.04 109.428 -178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 m -114.19 124.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.965 0.412 . . . . 64.32 110.614 -174.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -127.67 3.24 6.11 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.871 -0.604 . . . . 74.2 110.844 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -85.67 -11.96 52.48 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 108.981 -0.748 . . . . 71.23 108.981 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.93 149.47 29.39 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 114.962 -1.017 . . . . 72.33 110.153 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -107.12 128.66 54.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 41.4 111.142 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.57 -170.37 54.15 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.905 -0.588 . . . . 63.52 113.124 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.34 176.77 9.2 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.757 2.305 . . . . 71.22 111.307 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.4 t -72.32 86.65 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 72.15 110.138 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.77 -29.82 70.38 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.821 -0.627 . . . . 73.41 110.321 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -173.09 136.53 0.65 Allowed 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.532 -0.758 . . . . 60.55 109.96 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -55.03 -37.34 66.54 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.979 -0.555 . . . . 74.24 109.872 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -67.74 -35.32 78.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.69 -0.686 . . . . 72.41 110.144 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -66.98 -44.04 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.152 -0.685 . . . . 71.33 109.152 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.88 -41.57 78.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.537 -0.756 . . . . 72.21 110.036 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.88 -57.54 12.59 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.963 -0.562 . . . . 72.35 110.671 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 26' ' ' THR . 23.2 t -54.16 -47.22 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 74.31 110.633 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.11 -51.73 69.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 116.106 -0.497 . . . . 62.4 110.79 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 13.3 t -64.17 -31.78 73.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.08 0.467 . . . . 71.13 110.627 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.25 -33.85 67.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.036 -0.529 . . . . 75.43 110.61 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 22' ' ' SER . 72.7 p -78.3 -22.66 47.84 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.939 -0.304 . . . . 74.13 110.644 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.61 -53.09 62.08 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.24 -0.281 . . . . 75.14 110.24 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HB3' ' H ' ' A' ' 29' ' ' PHE . 22.3 ttm180 -168.59 -91.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.59 -0.277 . . . . 75.44 110.678 174.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' H ' ' HB3' ' A' ' 28' ' ' ARG . 76.3 m-85 -147.78 86.51 1.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.317 -0.623 . . . . 70.41 109.317 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.638 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 31.2 m -159.92 116.66 2.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.747 -0.834 . . . . 65.23 108.747 -174.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.46 139.33 48.2 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 111.257 -0.737 . . . . 71.13 111.257 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.88 130.82 9.41 Favored Glycine 0 C--O 1.235 0.188 0 C-N-CA 120.541 -0.838 . . . . 42.12 112.307 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -144.07 179.64 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.491 -0.559 . . . . 74.13 109.491 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.1 m -130.32 134.04 46.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.957 -0.757 . . . . 61.24 108.957 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -116.78 14.85 15.34 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.296 0.569 . . . . 63.53 110.949 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -126.08 152.97 18.33 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 109.977 -1.249 . . . . 55.12 109.977 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -63.68 93.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.38 0.59 . . . . 71.21 110.429 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 64.86 23.05 12.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.484 -0.78 . . . . 72.2 109.99 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -149.2 163.95 36.16 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.442 -0.799 . . . . 73.43 110.149 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 24.9 ttt180 58.02 93.76 0.03 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.593 0.711 . . . . 73.34 112.26 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.72 137.28 32.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.108 -0.951 . . . . 74.34 110.423 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.493 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 45.6 m-85 -125.99 152.45 45.7 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.957 0.503 . . . . 64.02 110.407 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -121.47 138.96 54.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.516 . . . . 45.24 110.398 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 4' ' ' GLU . 31.6 p -114.65 126.43 54.88 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.988 -0.551 . . . . 64.24 109.951 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -148.07 172.26 14.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.196 -0.456 . . . . 64.42 110.903 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -74.99 134.39 41.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 74.2 110.4 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.599 ' HB2' ' HG2' ' A' ' 1' ' ' ARG . 23.4 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.292 -0.861 . . . . 63.22 110.253 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 1' ' ' ARG . 11.4 ptp180 . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.728 0.299 . . . . 73.41 110.725 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.0 m -104.73 115.41 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.339 -0.615 . . . . 75.21 109.339 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.9 135.8 53.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.573 -0.285 . . . . 53.21 110.923 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 10.6 pt-20 -114.83 109.7 18.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.62 0.724 . . . . 75.4 110.362 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -96.71 -168.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.988 . . . . 44.33 109.537 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -114.44 148.81 37.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.785 -0.45 . . . . 73.04 109.785 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.9 t -114.34 119.68 37.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.55 0.69 . . . . 64.32 110.451 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -107.34 19.65 20.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 74.2 109.436 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 28.1 tptp -111.89 -15.2 13.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.622 -0.717 . . . . 71.23 110.288 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.39 165.99 21.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.759 -0.655 . . . . 72.33 110.569 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -86.27 104.47 15.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.123 -0.489 . . . . 41.4 111.368 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.85 -148.38 39.75 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.974 -0.557 . . . . 63.52 113.173 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.498 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 12.8 Cg_exo -69.97 -69.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.692 2.261 . . . . 71.22 111.861 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 9.2 t -153.51 172.07 17.73 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.441 -1.254 . . . . 72.15 110.261 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.604 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -151.97 -40.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.95 -0.759 . . . . 73.41 108.95 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -177.07 145.15 0.46 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.04 -0.982 . . . . 60.55 109.076 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -57.99 -35.12 70.77 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.017 -0.734 . . . . 74.24 109.017 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -58.87 -50.69 73.07 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 114.933 -1.03 . . . . 72.41 110.339 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.23 -48.75 76.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.35 -0.841 . . . . 71.33 110.396 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.2 m -58.04 -39.31 78.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 72.21 110.917 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -57.72 11.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 72.35 110.328 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.1 t -51.84 -56.24 15.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.64 -0.709 . . . . 74.31 111.047 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 90.5 t -58.41 -53.97 39.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 62.4 110.98 -177.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -60.95 -36.58 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.607 -0.269 . . . . 71.13 110.511 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -70.94 -34.19 71.24 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.713 0.292 . . . . 75.43 110.974 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -74.6 -27.85 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.481 . . . . 74.13 110.472 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 76.6 mm-40 -79.24 -38.71 34.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.312 177.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -167.06 159.26 12.97 Favored 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 109.921 -0.4 . . . . 75.44 109.921 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.96 84.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 70.41 110.046 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -163.44 117.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.132 -0.94 . . . . 65.23 108.634 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.25 177.99 6.71 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.779 -0.528 . . . . 71.13 111.779 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.07 163.53 25.07 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.543 -0.837 . . . . 42.12 113.174 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -165.18 170.85 14.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.196 0.599 . . . . 74.13 109.732 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.99 120.36 39.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.582 -0.896 . . . . 61.24 108.582 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 23.7 tpt180 -136.8 159.08 42.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.372 -0.377 . . . . 63.53 110.436 -170.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 162.03 36.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.191 -0.528 . . . . 55.12 112.659 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -65.37 -29.7 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 71.21 110.415 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -76.7 -11.83 59.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.451 -0.795 . . . . 72.2 110.696 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? 57.41 63.22 1.92 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.619 -0.511 . . . . 73.43 109.619 -171.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -99.5 160.97 13.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.135 -0.32 . . . . 73.34 110.135 -178.364 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.1 t -82.47 114.85 21.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.082 -0.508 . . . . 74.34 111.111 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 28.1 m-85 -114.82 154.91 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.727 -0.67 . . . . 64.02 109.813 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 67.1 m -114.9 142.66 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 45.24 110.698 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.9 p -114.73 116.24 28.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 64.24 110.417 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -131.27 -179.93 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 64.42 110.205 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -102.51 128.89 48.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.939 0.4 . . . . 74.2 111.228 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.7 -0.666 . . . . 63.22 109.364 172.415 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.992 0.425 . . . . 73.41 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 m -108.41 130.6 55.23 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.651 -0.704 . . . . 75.21 110.126 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.85 154.38 28.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 53.21 109.732 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 11.0 tt0 -114.73 152.82 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.863 -0.421 . . . . 75.4 109.863 -175.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -143.14 171.54 13.94 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.602 -0.888 . . . . 44.33 108.602 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -114.78 137.35 52.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 73.04 110.223 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 p -114.49 99.68 7.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 64.32 110.28 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -86.63 1.3 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.797 -0.638 . . . . 74.2 109.648 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.41 -35.42 80.87 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.83 -0.804 . . . . 71.23 108.83 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -82.29 115.79 21.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.076 -0.966 . . . . 72.33 108.91 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.715 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.17 116.24 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.297 0.57 . . . . 41.4 111.867 -172.649 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.4 -151.69 19.97 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.847 -0.615 . . . . 63.52 113.145 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -84.3 164.92 12.85 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.219 2.613 . . . . 71.22 111.588 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.97 77.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 72.15 110.0 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.09 67.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.601 -0.727 . . . . 73.41 111.303 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -146.73 134.4 21.07 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 116.28 -0.418 . . . . 60.55 110.564 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -54.37 47.3 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.218 -0.901 . . . . 74.24 110.234 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -52.46 -45.31 66.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.406 -0.815 . . . . 72.41 110.659 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 23' ' ' VAL . 3.0 m-20 -63.63 -56.72 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 71.33 111.088 -176.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.53 -51.48 66.92 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.206 0.527 . . . . 72.21 110.217 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -57.17 -53.89 52.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.291 -0.868 . . . . 72.35 111.252 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.51 -44.66 93.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.12 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 19' ' ' ASN . 69.5 t -58.89 -50.05 80.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.944 -0.391 . . . . 62.4 109.944 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.475 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.6 t -58.32 -46.74 85.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.958 -0.565 . . . . 71.13 110.942 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.7 mt-30 -63.73 -32.9 74.54 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.729 0.3 . . . . 75.43 111.06 -176.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 p -76.38 -35.23 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 74.13 110.975 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 10.1 pt-20 -77.28 -28.55 53.48 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.873 -0.331 . . . . 75.14 111.182 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.542 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 1.7 tpm_? -171.81 143.16 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.398 0.279 . . . . 75.44 110.453 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.43 98.91 0.07 Allowed 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.923 0.868 . . . . 70.41 110.325 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.706 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 75.8 m -167.4 120.4 0.94 Allowed 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 113.464 -1.698 . . . . 65.23 108.627 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 178.89 1.01 Allowed Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.874 -0.603 . . . . 71.13 112.341 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.48 146.22 18.69 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.944 -0.646 . . . . 42.12 112.538 -173.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -148.95 155.13 40.38 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.689 0.395 . . . . 74.13 110.201 -174.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -114.79 111.7 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.524 -0.547 . . . . 61.24 109.524 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -139.27 141.01 37.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.602 -0.518 . . . . 63.53 109.602 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.39 166.33 12.89 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.515 -0.634 . . . . 55.12 111.515 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -65.4 -39.92 92.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.35 . . . . 71.21 110.852 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -98.7 16.05 23.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.981 0.42 . . . . 72.2 110.115 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 4.3 mpt_? 56.22 77.62 0.24 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.697 -0.683 . . . . 73.43 111.06 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.81 152.43 23.02 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.378 -0.601 . . . . 73.34 109.378 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.8 t -70.72 112.77 7.2 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 123.446 0.466 . . . . 74.34 109.971 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -114.76 171.01 7.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.63 . . . . 64.02 109.438 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.706 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 78.6 m -130.53 145.69 51.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.817 -0.628 . . . . 45.24 110.783 -173.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -114.77 113.26 24.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.176 0.512 . . . . 64.24 110.119 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -118.74 167.57 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.58 -0.737 . . . . 64.42 110.06 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -101.16 126.1 47.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.353 -0.24 . . . . 74.2 110.353 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.966 -0.54 . . . . 63.22 109.829 175.744 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.677 0.275 . . . . 73.41 110.277 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 m -98.43 121.65 40.64 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.996 -0.372 . . . . 75.21 109.996 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 31.5 m -114.81 136.69 52.8 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 109.956 -0.387 . . . . 53.21 109.956 176.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.493 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 38.5 tt0 -114.84 130.96 56.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.267 -0.879 . . . . 75.4 109.978 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -129.35 -170.54 2.3 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.162 -1.051 . . . . 44.33 108.162 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -114.63 153.37 30.29 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.672 -0.492 . . . . 73.04 109.672 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.3 p -114.66 100.09 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.265 0.555 . . . . 64.32 110.569 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.552 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 27.2 p-80 -88.01 -7.08 57.57 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.088 -0.505 . . . . 74.2 110.794 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' ' CD ' ' A' ' 27' ' ' GLU . 23.1 tptm -70.98 -20.5 62.42 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.235 -0.654 . . . . 71.23 109.235 174.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -91.14 108.67 20.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.225 -0.898 . . . . 72.33 109.794 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.35 105.42 9.59 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 110.205 -0.295 . . . . 41.4 110.205 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.75 178.54 15.45 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.401 -0.428 . . . . 63.52 112.876 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -81.84 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.025 2.483 . . . . 71.22 111.992 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.833 ' SG ' ' HG3' ' A' ' 39' ' ' ARG . 28.4 p -74.29 74.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.144 0.497 . . . . 72.15 110.142 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.95 62.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 73.41 110.639 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -149.92 124.86 9.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 60.55 109.858 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.96 -56.77 17.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.474 -0.33 . . . . 74.24 111.132 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -53.65 -43.03 68.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.24 -0.437 . . . . 72.41 110.41 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.32 -49.78 72.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 71.33 110.547 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.37 -46.7 83.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.646 -0.706 . . . . 72.21 110.225 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.8 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 72.35 110.757 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.517 ' O ' HG21 ' A' ' 26' ' ' THR . 16.0 t -59.6 -47.98 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.975 -0.557 . . . . 74.31 110.372 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.1 -48.31 86.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.372 0.606 . . . . 62.4 110.601 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 34.3 t -56.9 -34.08 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 71.13 110.019 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.5 mt-30 -84.74 -20.19 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.103 -0.498 . . . . 75.43 111.954 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.517 HG21 ' O ' ' A' ' 22' ' ' SER . 76.6 p -70.95 -27.95 64.12 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.492 -0.929 . . . . 74.13 108.492 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' CD ' ' HG2' ' A' ' 9' ' ' LYS . 38.7 mm-40 -71.21 -73.0 0.19 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.406 -0.815 . . . . 75.14 109.666 169.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 56.6 mtp85 -151.28 159.01 44.57 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.136 -0.69 . . . . 75.44 109.136 174.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.42 101.95 0.07 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.148 0.499 . . . . 70.41 111.058 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.446 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 53.9 m -158.4 115.22 2.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.604 -0.887 . . . . 65.23 108.604 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.08 154.54 10.11 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.854 -0.612 . . . . 71.13 112.315 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.03 113.27 2.91 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.91 -0.662 . . . . 42.12 112.587 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 33' ' ' ARG . 12.1 mmm180 -122.91 177.5 5.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 74.13 110.338 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 t -122.6 132.14 54.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.194 -0.457 . . . . 61.24 109.868 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.9 tpp180 -144.37 160.22 41.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 110.124 -0.325 . . . . 63.53 110.124 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.99 157.82 33.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.147 -0.549 . . . . 55.12 112.504 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -72.45 -18.19 61.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.096 0.474 . . . . 71.21 110.361 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -93.19 7.76 42.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.571 -0.741 . . . . 72.2 110.412 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.833 ' HG3' ' SG ' ' A' ' 14' ' ' CYS . 2.6 tpp180 60.58 42.95 13.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.697 -0.683 . . . . 73.43 110.65 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.552 ' NH2' ' HA ' ' A' ' 8' ' ' HIS . 18.1 tpt180 -83.83 151.01 25.38 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.59 -0.732 . . . . 73.34 111.346 -173.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 117.23 17.7 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.21 0.528 . . . . 74.34 111.74 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 10.0 m-85 -115.19 147.0 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.37 -0.832 . . . . 64.02 109.169 174.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 96.7 m -114.75 141.57 47.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.741 0.305 . . . . 45.24 110.777 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.6 p -114.56 115.43 27.18 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.331 -0.618 . . . . 64.24 109.331 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -122.85 169.01 11.55 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.825 0.345 . . . . 64.42 110.735 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -74.7 107.02 6.54 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.806 -0.634 . . . . 74.2 109.547 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 3' ' ' CYS . 11.3 t . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.016 -0.993 . . . . 63.22 110.258 -171.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.618 ' HD2' ' H1 ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.722 0.296 . . . . 73.41 111.42 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -88.81 131.35 35.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.427 -0.582 . . . . 75.21 109.427 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -114.39 134.39 55.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.43 -0.35 . . . . 53.21 110.297 -174.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.462 ' HB3' HG21 ' A' ' 44' ' ' THR . 12.8 pt-20 -114.52 158.41 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.291 0.567 . . . . 75.4 110.768 -178.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -145.78 -176.61 5.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.203 -1.036 . . . . 44.33 108.203 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -113.91 135.74 53.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.267 -0.642 . . . . 73.04 109.267 -173.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -114.63 100.01 7.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.382 0.611 . . . . 64.32 111.464 -167.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -98.51 10.72 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.377 -0.971 . . . . 74.2 108.377 168.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HZ3' ' CD ' ' A' ' 27' ' ' GLU . 14.6 mmmm -64.14 -40.27 95.79 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.93 -1.032 . . . . 71.23 109.36 174.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.38 115.31 8.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.472 -0.936 . . . . 72.33 108.472 171.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -59.68 98.64 0.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.194 0.521 . . . . 41.4 111.476 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.61 -171.81 21.41 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.664 -0.698 . . . . 63.52 112.381 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.84 150.41 73.62 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.316 2.011 . . . . 71.22 111.191 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.37 100.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 72.15 111.199 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.37 84.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.365 -0.38 . . . . 73.41 110.746 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -152.79 130.18 11.35 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.883 -0.599 . . . . 60.55 110.307 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -52.7 -56.62 14.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.328 -0.851 . . . . 74.24 111.337 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -55.09 -33.58 62.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.083 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -72.64 -53.22 12.41 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.76 -0.654 . . . . 71.33 109.967 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -61.07 -34.51 75.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.09 0.471 . . . . 72.21 109.861 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.525 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -63.55 -52.47 60.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.591 -0.732 . . . . 72.35 110.141 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -55.44 -47.34 76.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 74.31 110.359 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -57.16 -48.65 81.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.724 -0.671 . . . . 62.4 110.958 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.16 -34.79 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 71.13 110.6 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.1 mt-30 -76.68 -30.22 56.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.058 -0.519 . . . . 75.43 110.911 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -76.08 -39.91 54.27 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.672 -0.24 . . . . 74.13 111.145 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' CD ' ' HZ3' ' A' ' 9' ' ' LYS . 8.7 pt-20 -69.53 -44.41 71.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.437 -0.505 . . . . 75.14 111.362 -177.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HG3' ' H ' ' A' ' 29' ' ' PHE . 21.8 tpt180 -156.39 176.23 12.97 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.501 0.191 . . . . 75.44 111.118 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' H ' ' HG3' ' A' ' 28' ' ' ARG . 38.9 t80 -73.27 102.16 3.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.707 0.765 . . . . 70.41 110.153 172.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 p -177.03 114.79 0.1 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.97 -1.468 . . . . 65.23 110.029 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.29 145.29 38.96 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.865 -0.894 . . . . 71.13 110.865 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.53 148.89 18.85 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.514 -0.851 . . . . 42.12 112.759 -174.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -158.69 143.42 15.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.654 -0.869 . . . . 74.13 108.654 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.7 m -114.19 132.54 56.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.685 -0.487 . . . . 61.24 109.685 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 108.83 1.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.483 -0.562 . . . . 63.53 109.483 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.45 -103.85 1.78 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.956 -0.858 . . . . 55.12 110.956 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -132.63 -68.12 0.62 Allowed 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 122.546 0.338 . . . . 71.21 110.541 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -135.49 88.76 2.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.429 0.633 . . . . 72.2 111.85 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 10.3 ptp85 -149.95 -45.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.364 -0.834 . . . . 73.43 109.719 172.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 14.3 tpp180 -159.55 140.6 12.61 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.03 -0.532 . . . . 73.34 109.64 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.4 t -103.92 148.3 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.714 -0.476 . . . . 74.34 109.714 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -134.75 155.32 50.78 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.427 0.454 . . . . 64.02 110.297 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -124.69 149.87 46.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 45.24 110.356 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.462 HG21 ' HB3' ' A' ' 4' ' ' GLU . 24.1 p -131.51 130.21 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 64.24 110.402 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -131.1 178.86 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.031 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -97.19 128.49 44.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 74.2 111.024 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.782 -0.628 . . . . 63.22 109.962 173.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.134 -0.321 . . . . 73.41 110.134 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 m -103.55 128.85 50.71 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.393 -0.595 . . . . 75.21 109.393 173.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m -128.9 144.49 51.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 53.21 110.973 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 124.77 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.597 -0.729 . . . . 75.4 110.166 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -112.96 -176.19 2.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.236 -0.653 . . . . 44.33 109.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -117.83 141.95 47.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.819 0.342 . . . . 73.04 110.22 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 p -114.74 108.82 17.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.929 -0.578 . . . . 64.32 110.176 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -104.14 -3.24 24.7 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.695 -0.684 . . . . 74.2 109.631 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -66.38 -28.15 68.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.593 -0.73 . . . . 71.23 111.163 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.2 102.38 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.164 -0.68 . . . . 72.33 109.164 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -75.98 142.29 41.96 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.854 -0.612 . . . . 41.4 111.35 -172.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.15 -158.13 25.46 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 116.141 -0.481 . . . . 63.52 112.233 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -87.25 177.98 3.66 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.235 2.624 . . . . 71.22 111.416 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.9 t -75.19 75.42 2.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 72.15 109.351 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.34 83.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.579 -0.737 . . . . 73.41 111.291 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.1 t -160.04 130.36 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.172 -0.467 . . . . 60.55 110.284 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -63.16 -40.16 96.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.492 . . . . 74.24 110.074 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -64.49 -37.55 87.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.508 -0.769 . . . . 72.41 109.743 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -75.46 -38.31 59.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.652 -0.704 . . . . 71.33 110.747 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.3 t -55.89 -48.29 75.88 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 109.546 -0.538 . . . . 72.21 109.546 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.48 85.74 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.507 -0.77 . . . . 72.35 110.681 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 t -55.17 -53.48 55.44 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.797 -0.638 . . . . 74.31 110.723 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.94 -52.96 48.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.943 -0.572 . . . . 62.4 110.57 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -56.13 -41.49 75.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 71.13 110.561 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -72.47 -36.58 68.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.553 -0.294 . . . . 75.43 111.462 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -67.97 -27.48 66.63 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.926 0.393 . . . . 74.13 110.22 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -75.25 -53.71 8.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.077 -0.511 . . . . 75.14 110.371 173.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.4 148.52 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 75.44 109.825 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.32 102.93 0.34 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.561 0.696 . . . . 70.41 109.842 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 49.8 m -162.98 113.18 1.4 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.397 -1.274 . . . . 65.23 109.492 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.08 117.51 10.46 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 111.283 -0.727 . . . . 71.13 111.283 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -114.37 132.03 10.23 Favored Glycine 0 C--N 1.328 0.128 0 C-N-CA 120.525 -0.845 . . . . 42.12 113.169 -168.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 2.8 mmp_? -120.53 176.07 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.578 -0.527 . . . . 74.13 109.578 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 t -114.75 149.13 37.38 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.985 0.422 . . . . 61.24 110.449 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.773 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 4.4 tpm_? -123.38 120.89 34.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 63.53 109.497 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.93 -106.47 1.93 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.456 -0.658 . . . . 55.12 111.456 -176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 t80 176.93 -35.71 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.83 0.348 . . . . 71.21 110.401 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -52.35 -53.9 38.71 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.865 -0.607 . . . . 72.2 111.314 -175.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 178.61 84.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 110.132 -0.321 . . . . 73.43 110.132 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.773 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -159.24 130.59 6.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.462 -0.336 . . . . 73.34 110.494 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.07 137.17 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 74.34 109.79 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -129.57 133.13 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.391 -0.368 . . . . 64.02 110.092 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.519 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 79.2 m -115.02 144.21 43.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.112 -0.494 . . . . 45.24 110.63 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -120.7 135.67 55.07 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.295 -0.411 . . . . 64.24 110.112 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -147.09 170.16 17.74 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.959 -0.564 . . . . 64.42 110.468 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -82.76 110.09 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.829 -0.623 . . . . 74.2 109.972 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.247 0.961 0 N-CA-C 108.965 -0.754 . . . . 63.22 108.965 175.353 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 1' ' ' ARG . 19.2 ptt-85 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.488 -0.19 . . . . 73.41 110.488 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -97.1 133.84 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.321 -0.622 . . . . 75.21 109.321 172.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -114.48 109.0 17.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.732 -0.47 . . . . 53.21 109.732 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -125.18 125.48 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.392 0.615 . . . . 75.4 110.832 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -104.91 177.01 4.97 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.027 -0.988 . . . . 44.33 108.414 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -114.45 135.54 53.99 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.811 -0.811 . . . . 73.04 108.811 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -114.56 99.51 7.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.525 0.678 . . . . 64.32 110.291 -175.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -96.19 9.79 39.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 74.2 108.933 172.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.03 -0.986 . . . . 71.23 108.913 168.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -73.82 154.28 39.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.104 -0.953 . . . . 72.33 109.169 172.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -77.4 80.56 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.129 0.49 . . . . 41.4 111.484 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.67 -134.99 14.81 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 115.503 -0.771 . . . . 63.52 113.074 175.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.25 166.09 29.37 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.24 2.627 . . . . 71.22 112.304 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 44.5 t -73.81 86.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 72.15 110.752 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -16.25 61.51 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.888 -0.596 . . . . 73.41 110.472 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.5 t -164.26 119.46 1.51 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.431 -0.804 . . . . 60.55 109.952 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 4.9 p-10 -62.48 -39.61 94.01 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.105 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -62.74 -42.41 99.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 72.41 110.199 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -68.59 -48.98 62.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.875 -0.602 . . . . 71.33 110.01 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.44 -49.27 55.44 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.271 0.558 . . . . 72.21 110.21 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.521 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -58.99 -54.91 41.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.333 -0.849 . . . . 72.35 111.238 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 26' ' ' THR . 12.4 t -56.64 -42.75 79.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 74.31 110.922 -175.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 64.6 t -60.69 -55.45 24.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.025 0.44 . . . . 62.4 110.406 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.7 -31.65 70.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.081 -0.509 . . . . 71.13 110.781 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -74.96 -33.89 61.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.491 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 22' ' ' SER . 29.7 p -75.21 -33.92 61.44 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.088 -0.245 . . . . 74.13 110.547 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 45.7 mt-10 -63.08 -48.73 77.37 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 110.122 -0.325 . . . . 75.14 110.122 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -164.9 177.21 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.63 0.772 . . . . 75.44 109.806 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -69.05 101.56 1.44 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 122.06 0.933 . . . . 70.41 109.919 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -163.6 115.1 1.41 Allowed 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 113.869 -1.514 . . . . 65.23 108.364 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.69 168.44 13.3 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.106 -0.569 . . . . 71.13 112.077 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.521 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.74 153.92 17.32 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.953 -0.641 . . . . 42.12 112.087 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -151.82 159.25 43.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.694 -0.484 . . . . 74.13 109.694 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 83.1 m -137.54 100.23 4.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.511 -0.922 . . . . 61.24 108.511 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 71.6 ttt180 -92.42 152.2 19.84 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.468 -0.787 . . . . 63.53 111.603 -168.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.02 66.45 2.16 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.317 -0.856 . . . . 55.12 112.099 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.0 t80 64.35 35.79 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.83 0.824 . . . . 71.21 109.474 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 15.1 mmt180 63.52 20.46 12.26 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.292 -0.867 . . . . 72.2 111.86 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -71.81 -48.51 45.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.449 0.537 . . . . 73.43 112.449 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.1 tpp180 -121.42 142.87 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 122.113 -0.367 . . . . 73.34 111.93 -171.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 t -78.99 128.65 33.54 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.752 -0.658 . . . . 74.34 111.273 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 45.6 m-85 -129.13 160.57 32.43 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.94 0.896 . . . . 64.02 109.066 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -115.46 134.44 55.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.958 -0.386 . . . . 45.24 109.958 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -114.65 132.65 56.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.628 0.251 . . . . 64.24 110.77 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -156.12 -179.96 8.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.746 -0.464 . . . . 64.42 109.746 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -106.9 109.56 21.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.561 -0.533 . . . . 74.2 109.561 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 118.444 -0.789 . . . . 63.22 109.954 179.577 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.832 0.349 . . . . 73.41 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.9 m -82.86 130.7 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 75.21 110.385 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.7 m -114.64 135.62 53.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.355 -0.609 . . . . 53.21 109.355 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -114.74 123.42 49.2 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.347 0.594 . . . . 75.4 111.188 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 p -105.61 176.02 5.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.33 -0.85 . . . . 44.33 109.255 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -114.72 154.4 28.55 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.712 -0.847 . . . . 73.04 108.712 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -114.68 99.7 7.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.5 0.667 . . . . 64.32 110.008 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -87.42 -5.4 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.082 -1.081 . . . . 74.2 108.082 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.62 -47.91 82.78 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.688 -1.142 . . . . 71.23 108.87 172.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -69.77 130.74 43.15 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.849 -1.069 . . . . 72.33 109.235 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -102.46 102.5 12.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.279 -0.419 . . . . 41.4 111.25 -172.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.97 -172.45 15.79 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.633 -0.712 . . . . 63.52 112.018 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.02 146.81 37.58 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 71.22 110.676 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.686 ' SG ' ' HB3' ' A' ' 39' ' ' ARG . 29.1 p -70.47 78.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.198 0.523 . . . . 72.15 110.35 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.65 66.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.703 -0.68 . . . . 73.41 111.125 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -126.36 114.84 18.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.208 -0.451 . . . . 60.55 110.186 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -58.0 -51.97 67.46 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.913 -0.585 . . . . 74.24 111.409 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -58.6 -42.35 87.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.841 0.353 . . . . 72.41 110.686 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' O ' HG21 ' A' ' 23' ' ' VAL . 25.5 t-20 -62.83 -58.82 6.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.639 -0.709 . . . . 71.33 110.635 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -52.37 -49.16 64.95 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.101 -0.499 . . . . 72.21 110.927 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.95 -55.42 30.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.43 -0.805 . . . . 72.35 110.486 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.8 t -57.65 -41.81 82.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.31 110.735 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 19' ' ' ASN . 54.9 t -56.12 -46.79 81.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.379 -0.373 . . . . 62.4 110.325 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 30' ' ' SER . 43.0 t -60.9 -46.79 89.23 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.175 -0.466 . . . . 71.13 110.566 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.35 -31.08 71.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.631 -0.258 . . . . 75.43 111.532 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.3 p -83.08 -27.41 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.578 0.228 . . . . 74.13 111.221 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -77.23 -39.67 47.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.498 -0.319 . . . . 75.14 110.63 -178.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.541 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 4.8 mmp_? -157.18 -171.86 3.79 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.092 0.472 . . . . 75.44 110.909 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.3 83.58 3.89 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.109 -0.7 . . . . 70.41 109.109 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 55.5 m -161.92 119.38 2.18 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.317 -1.31 . . . . 65.23 108.258 -175.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.17 138.43 47.71 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.742 -0.663 . . . . 71.13 111.636 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.18 11.57 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.933 -0.651 . . . . 42.12 112.901 -173.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.26 -179.38 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.561 0.744 . . . . 74.13 109.514 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 70.9 m -114.06 130.3 56.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 61.24 110.179 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HD3' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -139.27 131.23 27.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.831 -0.803 . . . . 63.53 108.831 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' N ' ' HD3' ' A' ' 35' ' ' ARG . . . 117.01 162.34 12.62 Favored Glycine 0 C--N 1.33 0.212 0 N-CA-C 111.875 -0.49 . . . . 55.12 111.875 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -68.57 -30.98 69.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.328 0.585 . . . . 71.21 110.358 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.446 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 12.8 tpt180 -89.7 5.84 44.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 72.2 110.74 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.686 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.9 mtp180 54.73 65.76 1.42 Allowed 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.348 0.594 . . . . 73.43 110.717 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -83.82 133.49 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.397 -0.82 . . . . 73.34 109.095 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.609 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 58.9 m -67.13 116.54 8.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 74.34 110.96 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -116.03 147.01 41.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 64.02 109.809 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.2 m -115.31 152.55 32.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.593 . . . . 45.24 110.581 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -135.04 128.16 31.77 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.614 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -136.63 -179.89 5.96 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.614 -0.721 . . . . 64.42 109.753 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -103.9 138.92 39.78 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.784 -0.189 . . . . 74.2 110.514 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.067 -0.492 . . . . 63.22 110.12 176.165 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 110.172 -0.307 . . . . 73.41 110.172 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.6 m -106.63 145.17 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.88 0.371 . . . . 75.21 110.189 176.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HB2' HG22 ' A' ' 45' ' ' THR . 35.2 m -114.76 114.02 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.252 -0.647 . . . . 53.21 109.252 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -114.71 127.84 55.98 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.158 0.504 . . . . 75.4 109.968 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 m -125.26 178.28 5.67 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.387 -0.968 . . . . 44.33 108.387 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -114.28 152.51 31.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.877 -0.786 . . . . 73.04 108.877 -176.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.512 ' OG ' ' SG ' ' A' ' 43' ' ' CYS . 2.1 m -113.75 99.55 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.262 0.553 . . . . 64.32 110.314 -172.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -93.5 3.04 56.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.429 -0.805 . . . . 74.2 109.672 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.21 -32.51 63.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.569 -0.742 . . . . 71.23 109.387 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -78.72 118.11 20.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.827 -0.805 . . . . 72.33 108.827 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -86.9 113.71 22.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.132 0.491 . . . . 41.4 110.617 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.55 175.38 37.11 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.273 -0.876 . . . . 63.52 112.136 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.32 164.46 35.57 Favored 'Trans proline' 0 C--O 1.239 0.546 0 C-N-CA 122.508 2.139 . . . . 71.22 111.764 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 95.3 m -60.69 93.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 72.15 111.829 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -29.48 69.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.77 -0.65 . . . . 73.41 109.382 169.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -148.35 123.67 10.27 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.212 -0.904 . . . . 60.55 110.134 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.68 -33.12 71.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.28 -0.418 . . . . 74.24 110.104 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.34 -52.18 59.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.664 -0.698 . . . . 72.41 110.086 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.54 -47.64 84.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.39 -0.823 . . . . 71.33 110.052 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -58.32 -50.3 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 72.21 110.795 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.534 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.59 -44.89 95.72 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.463 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -57.68 -39.58 77.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 74.31 109.947 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 t -63.15 -46.81 94.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.538 -0.755 . . . . 62.4 110.877 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.75 -42.17 71.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.91 0.386 . . . . 71.13 110.297 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 92.5 mt-30 -65.45 -43.01 91.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.824 -0.626 . . . . 75.43 111.199 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -68.23 -31.47 71.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 74.13 110.952 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.05 -66.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 75.14 110.264 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -155.21 -173.99 4.79 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.438 0.295 . . . . 75.44 110.383 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -72.1 85.41 1.02 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.729 0.776 . . . . 70.41 109.821 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.8 m -158.75 117.05 2.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.642 -1.163 . . . . 65.23 108.326 -174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.23 172.33 4.59 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.427 -0.669 . . . . 71.13 111.427 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -127.94 149.68 18.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.43 -0.89 . . . . 42.12 112.663 -177.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -156.39 148.84 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.624 -0.51 . . . . 74.13 109.624 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.83 110.93 20.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.992 -0.744 . . . . 61.24 108.992 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.625 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 5.2 ppt_? -132.54 133.0 43.19 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.504 0.669 . . . . 63.53 111.165 -173.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.99 155.0 9.3 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 110.521 -1.032 . . . . 55.12 110.521 -173.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -68.26 -24.03 64.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.203 0.525 . . . . 71.21 110.729 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -83.94 -0.53 51.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.634 . . . . 72.2 110.53 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.608 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 56.42 70.07 0.68 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.649 -0.501 . . . . 73.43 109.649 -172.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -93.88 133.31 37.43 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.011 -0.54 . . . . 73.34 110.702 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.583 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.5 m -72.94 124.7 25.96 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.58 -0.737 . . . . 74.34 112.239 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.625 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 88.5 m-85 -128.47 144.63 51.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.168 -0.924 . . . . 64.02 109.244 173.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.512 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 36.6 m -114.67 134.62 54.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.966 -0.753 . . . . 45.24 108.966 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -114.73 116.05 28.03 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.265 0.555 . . . . 64.24 111.681 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 3' ' ' CYS . 8.2 t -121.67 -179.84 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.763 -0.829 . . . . 64.42 108.763 174.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -117.57 16.49 14.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.646 0.26 . . . . 74.2 110.63 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.395 -0.821 . . . . 63.22 111.456 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.924 -0.399 . . . . 73.41 109.924 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.9 m -147.92 147.54 29.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 75.21 110.756 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -129.24 127.03 40.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.55 -0.537 . . . . 53.21 109.55 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.605 ' HB3' HG21 ' A' ' 44' ' ' THR . 8.8 pt-20 -128.79 126.36 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 75.4 110.269 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -123.83 -176.49 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.714 -0.675 . . . . 44.33 109.744 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.5 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 8.3 tt0 -114.62 133.59 55.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.781 0.324 . . . . 73.04 110.2 -174.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 t -114.79 120.33 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 64.32 110.413 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -102.7 10.17 38.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.326 -0.62 . . . . 74.2 109.326 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.2 -35.47 79.69 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.817 -0.629 . . . . 71.23 109.532 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.67 -178.98 1.61 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.102 -0.954 . . . . 72.33 109.337 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.28 36.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.195 0.443 . . . . 41.4 112.195 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.87 -111.32 3.66 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-O 119.77 -0.461 . . . . 63.52 112.12 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.63 100.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.64 2.227 . . . . 71.22 111.5 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.8 t -48.12 108.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 72.15 111.88 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.34 69.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.757 -0.656 . . . . 73.41 110.296 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -143.03 121.95 12.75 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.857 -0.61 . . . . 60.55 110.844 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.765 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 14.6 t70 -55.32 -44.14 75.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.357 -0.838 . . . . 74.24 110.363 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.81 -41.4 82.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.705 -0.68 . . . . 72.41 110.806 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.91 -45.39 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.533 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.62 -42.03 91.77 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.279 -0.637 . . . . 72.21 109.279 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.89 -52.09 66.54 Favored 'General case' 0 CA--C 1.523 -0.063 0 CA-C-N 115.426 -0.806 . . . . 72.35 110.876 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 26' ' ' THR . 26.8 t -55.4 -45.95 76.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 74.31 110.311 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -57.5 -58.36 6.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.985 -0.552 . . . . 62.4 110.73 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.92 -31.99 70.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.267 -0.424 . . . . 71.13 111.137 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -79.02 -32.97 45.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.466 -0.334 . . . . 75.43 111.391 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 22' ' ' SER . 24.9 p -69.19 -37.5 78.17 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.558 -0.534 . . . . 74.13 109.558 177.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -55.78 -67.35 0.3 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.152 -0.477 . . . . 75.14 111.01 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtm-85 -149.94 -176.84 5.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.696 -0.684 . . . . 75.44 110.404 -173.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.95 100.16 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.944 0.878 . . . . 70.41 109.296 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 p -172.85 115.25 0.28 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.654 -1.612 . . . . 65.23 109.837 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.04 146.47 43.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.104 -0.799 . . . . 71.13 111.104 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.29 141.77 17.18 Favored Glycine 0 CA--C 1.507 -0.451 0 C-N-CA 120.523 -0.846 . . . . 42.12 111.343 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -143.92 150.51 38.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.343 -0.614 . . . . 74.13 109.343 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.765 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.3 m -114.77 100.13 8.01 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.136 -0.69 . . . . 61.24 109.136 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -112.7 153.74 27.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.256 -0.884 . . . . 63.53 110.663 -169.677 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.46 148.53 8.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.34 -0.457 . . . . 55.12 112.05 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -58.35 -22.36 53.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.163 0.506 . . . . 71.21 110.799 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -76.51 0.96 18.03 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.738 -0.665 . . . . 72.2 111.137 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 61.18 42.44 12.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.013 0.435 . . . . 73.43 109.981 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 5.5 tpp85 -79.33 131.03 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 73.34 111.225 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.12 123.84 29.33 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.431 . . . . 74.34 111.474 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -122.87 146.6 47.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.713 -0.676 . . . . 64.02 110.458 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 35.8 m -114.88 132.28 56.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 45.24 109.712 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 4' ' ' GLU . 27.9 p -121.68 122.22 39.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 64.24 110.612 -173.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -137.28 176.58 8.58 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.81 -0.441 . . . . 64.42 109.81 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -101.2 124.38 46.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.598 0.237 . . . . 74.2 111.434 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.1 m . . . . . 0 C--O 1.248 0.994 0 N-CA-C 109.279 -0.637 . . . . 63.22 109.279 170.328 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 1' ' ' ARG . 12.0 mmt180 . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.057 -0.349 . . . . 73.41 110.057 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.6 m -109.26 146.93 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.968 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -114.76 148.74 37.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.94 -0.763 . . . . 53.21 108.94 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 169.76 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.835 0.35 . . . . 75.4 110.558 -177.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -159.04 170.83 21.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 44.33 109.334 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -117.83 130.75 56.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.83 0.348 . . . . 73.04 110.561 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.1 m -114.57 99.39 7.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.489 . . . . 64.32 111.918 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -103.26 14.89 30.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.035 -1.098 . . . . 74.2 108.035 166.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 1.3 mptp? -60.67 -27.65 68.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 114.619 -1.173 . . . . 71.23 109.111 175.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.9 102.8 11.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.395 -1.275 . . . . 72.33 109.236 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' H ' ' HD3' ' A' ' 11' ' ' LYS . 3.0 mppt? -72.44 124.1 24.47 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.485 -0.325 . . . . 41.4 110.558 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -171.47 21.62 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 115.892 -0.594 . . . . 63.52 112.087 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 138.6 66.58 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.574 2.183 . . . . 71.22 111.647 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.62 87.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.134 0.492 . . . . 72.15 110.238 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.16 25.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.459 -0.791 . . . . 73.41 111.965 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -146.41 141.17 26.9 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 120.999 0.428 . . . . 60.55 111.635 -174.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' CG ' HH21 ' A' ' 33' ' ' ARG . 4.8 m-20 -57.9 -41.64 83.02 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.418 -0.81 . . . . 74.24 109.675 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -51.47 -47.07 63.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.271 -0.877 . . . . 72.41 110.397 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.31 -50.88 27.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.194 -0.912 . . . . 71.33 110.636 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -60.83 -39.05 87.57 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.026 0.441 . . . . 72.21 110.079 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.82 78.44 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.883 -0.599 . . . . 72.35 110.591 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 26' ' ' THR . 35.7 t -55.47 -49.18 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 74.31 110.034 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.74 -49.31 85.06 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.547 -0.752 . . . . 62.4 110.716 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.24 -36.69 71.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.523 -0.762 . . . . 71.13 110.28 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.1 mt-30 -76.8 -29.13 55.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.792 -0.64 . . . . 75.43 111.294 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 22' ' ' SER . 40.0 p -71.24 -29.59 65.3 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.739 -0.467 . . . . 74.13 109.739 176.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HB3' ' HD3' ' A' ' 28' ' ' ARG . 8.4 mt-10 -68.02 -73.24 0.15 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.257 -0.577 . . . . 75.14 110.376 169.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.459 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -141.26 176.31 8.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.916 0.388 . . . . 75.44 110.215 179.014 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -66.8 110.76 3.41 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.159 0.504 . . . . 70.41 110.045 172.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.572 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 3.4 p -173.94 112.76 0.19 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.915 -1.039 . . . . 65.23 110.492 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 149.25 51.65 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.908 -0.587 . . . . 71.13 111.711 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.85 150.18 18.74 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 42.12 113.332 -172.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.42 HH21 ' CG ' ' A' ' 17' ' ' ASP . 4.5 tpm_? -151.6 149.59 29.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.004 -1.109 . . . . 74.13 108.004 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.809 ' SG ' ' HA ' ' A' ' 38' ' ' ARG . 39.7 t -114.18 113.37 24.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.919 0.39 . . . . 61.24 110.278 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -117.59 -168.41 1.49 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.646 -0.706 . . . . 63.53 110.346 -174.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.73 76.16 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 111.988 -0.445 . . . . 55.12 111.988 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.0 t80 56.19 57.91 4.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.498 0.666 . . . . 71.21 109.775 -172.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.809 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 81.5 mtt180 61.5 28.15 17.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.152 -0.931 . . . . 72.2 111.637 173.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -127.65 -7.95 5.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.001 -0.545 . . . . 73.43 111.345 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.504 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 43.0 ttt180 -138.67 99.07 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 73.34 110.101 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.7 131.8 34.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.498 -0.319 . . . . 74.34 110.363 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 74.8 m-85 -116.77 157.24 25.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.002 0.429 . . . . 64.02 110.474 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 86.5 m -124.83 157.36 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 45.24 110.326 176.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 p -132.93 124.08 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.896 -0.593 . . . . 64.24 109.885 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -126.89 162.55 25.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.25 -0.432 . . . . 64.42 110.51 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -97.82 114.64 26.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 74.2 109.653 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.108 -0.472 . . . . 63.22 109.847 177.057 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 110.17 -0.307 . . . . 73.41 110.17 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.1 m -144.56 124.91 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 75.21 110.264 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.8 m -114.73 108.3 16.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 53.21 110.358 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.631 ' HB3' HG23 ' A' ' 44' ' ' THR . 12.6 pt-20 -114.85 111.86 21.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.471 0.653 . . . . 75.4 110.539 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -94.35 -164.97 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.857 -1.065 . . . . 44.33 108.913 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.524 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 21.2 tm0? -113.85 159.28 20.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.226 -1.027 . . . . 73.04 108.226 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.536 ' OG ' ' SG ' ' A' ' 43' ' ' CYS . 1.4 m -113.38 99.64 7.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.392 0.615 . . . . 64.32 110.754 -169.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -88.61 -4.38 58.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.303 -0.862 . . . . 74.2 110.396 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.64 -21.47 23.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.855 -0.611 . . . . 71.23 111.649 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -78.47 151.86 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.66 -0.496 . . . . 72.33 109.66 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.41 92.41 5.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.997 0.903 . . . . 41.4 110.196 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.24 -148.47 34.38 Favored Glycine 0 C--N 1.307 -1.068 0 CA-C-N 113.906 -1.497 . . . . 63.52 112.34 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -80.92 -173.2 1.75 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.757 2.305 . . . . 71.22 111.548 176.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.9 m -68.84 84.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 72.15 111.247 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.6 -26.19 64.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.419 0.628 . . . . 73.41 109.937 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -151.97 111.4 3.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.314 -0.857 . . . . 60.55 108.936 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.527 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 2.6 m-20 -54.93 -47.78 73.98 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.352 0.407 . . . . 74.24 111.072 -173.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -59.97 -42.82 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 72.41 110.456 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.94 -49.41 72.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 71.33 109.953 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -57.8 -44.02 86.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.522 -0.763 . . . . 72.21 110.433 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -59.92 -49.32 78.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.64 177.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -58.95 -44.75 91.48 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.258 0.552 . . . . 74.31 110.37 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.89 -43.97 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.634 -0.712 . . . . 62.4 110.352 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 98.5 m -69.45 -22.16 63.67 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.393 -0.367 . . . . 71.13 111.184 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 76.7 mt-30 -73.04 -37.07 67.0 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.852 0.358 . . . . 75.43 110.326 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -77.86 -24.65 48.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.185 0.517 . . . . 74.13 111.223 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.6 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 35.2 mm-40 -85.71 -70.26 0.61 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.901 -0.591 . . . . 75.14 111.459 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.6 ' NH1' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.88 -179.09 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 75.44 111.253 -176.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -86.45 -51.23 6.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.737 -0.665 . . . . 70.41 112.407 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.506 ' H ' ' HA ' ' A' ' 45' ' ' THR . 16.3 m -86.88 -23.98 25.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.655 0.613 . . . . 65.23 112.655 -169.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.485 ' HA2' ' HG2' ' A' ' 25' ' ' GLN . . . 137.3 -138.57 9.82 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.24 -0.981 . . . . 71.13 112.846 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -144.62 -179.86 21.32 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.242 -0.504 . . . . 42.12 113.254 -174.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 6.2 tpp180 -158.38 147.67 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.905 0.482 . . . . 74.13 109.874 -175.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.7 m -126.67 119.73 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.701 -0.852 . . . . 61.24 108.701 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -170.0 160.36 8.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.032 0.444 . . . . 63.53 111.9 -168.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.67 -129.4 9.84 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.572 -0.74 . . . . 55.12 114.609 165.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 39.2 m-85 -56.06 102.89 0.08 Allowed 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.211 0.604 . . . . 71.21 111.758 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 57.25 29.02 16.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.847 -0.615 . . . . 72.2 111.18 175.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 66.31 64.77 0.51 Allowed 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.544 -0.91 . . . . 73.43 108.544 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 11.9 tpt180 -86.06 153.31 22.21 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.912 -1.04 . . . . 73.34 111.468 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.3 m -79.25 123.26 27.27 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.404 -0.816 . . . . 74.34 111.338 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.524 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 66.8 m-85 -122.76 148.25 45.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.144 -0.935 . . . . 64.02 108.861 175.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.536 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 79.8 m -117.11 143.28 45.97 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 45.24 109.763 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 4' ' ' GLU . 77.8 p -114.66 134.05 55.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.775 0.321 . . . . 64.24 110.262 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.506 ' HA ' ' H ' ' A' ' 30' ' ' SER . 6.8 t -139.56 170.8 15.25 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.067 -178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -91.36 136.63 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 74.2 110.748 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--O 1.247 0.923 0 N-CA-C 109.128 -0.693 . . . . 63.22 109.128 171.876 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.1 0.476 . . . . 73.41 110.525 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.2 m -126.62 124.31 39.61 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.803 -0.635 . . . . 75.21 109.77 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.541 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 78.8 m -114.66 154.66 28.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.267 -0.271 . . . . 53.21 110.267 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -114.87 157.91 22.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.906 0.384 . . . . 75.4 110.433 177.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -151.12 177.39 10.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.995 -0.548 . . . . 44.33 110.216 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' A' ' 40' ' ' ARG . 5.2 tp-100 -114.52 136.8 52.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.91 -0.404 . . . . 73.04 109.91 -177.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.6 t -126.56 114.54 18.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.108 0.48 . . . . 64.32 110.816 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -97.21 11.14 37.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.093 -0.706 . . . . 74.2 109.093 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -68.72 -40.35 79.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.02 -0.991 . . . . 71.23 109.988 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 14' ' ' CYS . 55.6 t80 -65.23 108.04 1.77 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.718 -0.845 . . . . 72.33 108.718 175.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -76.96 110.99 12.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.896 -0.593 . . . . 41.4 111.078 -171.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.55 162.46 30.27 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.231 -0.895 . . . . 63.52 111.798 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.63 139.12 79.45 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.329 2.019 . . . . 71.22 111.065 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 27.0 p -68.1 97.72 0.72 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.5 0.666 . . . . 72.15 110.671 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -29.88 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.34 -0.845 . . . . 73.41 110.895 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -144.74 127.46 16.22 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.975 -0.557 . . . . 60.55 110.623 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.74 -28.46 63.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 74.24 110.198 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -52.47 -57.78 8.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.862 -0.608 . . . . 72.41 110.26 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.59 -46.72 84.53 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.181 -0.918 . . . . 71.33 110.124 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.99 -46.8 78.59 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.466 -0.788 . . . . 72.21 110.548 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.29 84.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 72.35 111.181 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 t -58.21 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 74.31 110.573 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.53 -50.33 80.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.222 0.534 . . . . 62.4 110.168 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -56.57 -29.61 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 71.13 111.08 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.12 -48.39 24.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.462 0.172 . . . . 75.43 110.698 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.8 p -59.4 -29.16 67.54 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.906 -0.318 . . . . 74.13 110.464 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -80.75 -56.06 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.152 0.501 . . . . 75.14 110.409 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -126.27 92.79 3.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.582 -0.735 . . . . 75.44 110.215 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -61.61 88.1 0.02 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.085 0.469 . . . . 70.41 110.806 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -164.75 -89.46 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.365 -0.834 . . . . 65.23 110.374 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.5 150.85 23.14 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.356 -0.926 . . . . 71.13 112.688 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.61 148.01 19.36 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.438 -0.665 . . . . 42.12 111.438 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.623 ' HG3' ' H ' ' A' ' 34' ' ' CYS . 12.9 tpt180 -163.09 179.85 7.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.929 0.365 . . . . 74.13 110.204 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.623 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 69.9 m -114.15 116.0 28.4 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.403 -0.591 . . . . 61.24 109.403 177.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 3.7 tpm_? -114.68 115.51 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.26 0.552 . . . . 63.53 110.012 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.59 153.74 10.01 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.234 -0.894 . . . . 55.12 112.176 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.2 -30.86 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.605 0.362 . . . . 71.21 111.283 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -82.11 16.22 2.04 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.271 0.471 . . . . 72.2 112.271 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 61.41 29.38 18.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.579 0.228 . . . . 73.43 111.452 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.42 ' HG2' ' NE2' ' A' ' 6' ' ' GLN . 0.6 OUTLIER -75.45 124.8 27.78 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.496 -0.32 . . . . 73.34 110.329 -177.411 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 10.5 m -76.99 120.22 21.8 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.176 0.512 . . . . 74.34 112.053 -176.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 22.0 m-85 -114.59 146.54 40.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 64.02 109.238 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.1 m -114.83 140.86 48.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.197 -0.456 . . . . 45.24 111.047 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.5 p -114.73 114.82 26.13 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.94 -0.763 . . . . 64.24 108.94 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -129.34 160.63 32.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 64.42 110.223 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -71.22 127.32 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.268 -0.641 . . . . 74.2 109.268 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.541 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 12.3 m . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.674 -0.679 . . . . 63.22 110.776 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.754 -0.461 . . . . 73.41 109.754 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -104.18 116.2 31.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.973 0.416 . . . . 75.21 110.664 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.6 m -117.05 124.34 49.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.264 -0.643 . . . . 53.21 109.264 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' HB3' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -120.74 162.58 19.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.299 0.571 . . . . 75.4 111.075 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -147.83 -174.54 4.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 44.33 108.905 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -114.66 144.29 43.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.678 -0.489 . . . . 73.04 109.678 -176.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 p -114.6 102.56 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.379 0.609 . . . . 64.32 110.45 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -107.83 -4.6 17.88 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.434 -0.803 . . . . 74.2 110.714 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.33 -29.79 69.45 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.042 0.449 . . . . 71.23 110.451 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.93 136.36 57.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.758 . . . . 72.33 110.193 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.1 86.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 41.4 111.219 -174.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.21 -173.78 37.92 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.88 -0.6 . . . . 63.52 112.191 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.94 162.38 22.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.799 2.332 . . . . 71.22 111.986 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 14.2 t -57.2 92.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 72.15 111.54 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.45 95.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.336 0.589 . . . . 73.41 109.564 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 m -153.11 135.47 15.03 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.311 -0.858 . . . . 60.55 109.52 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 10.9 p-10 -55.77 -41.88 74.71 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.288 -0.414 . . . . 74.24 109.912 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -56.99 -39.05 73.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 72.41 109.822 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.436 HD21 ' N ' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -67.54 -55.51 13.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.637 -0.711 . . . . 71.33 110.299 -178.494 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.01 -40.79 94.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.154 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.71 -49.15 76.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.815 -0.63 . . . . 72.35 110.478 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.443 ' O ' HG21 ' A' ' 26' ' ' THR . 17.7 t -56.61 -48.13 78.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 74.31 110.128 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.21 -49.86 82.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 CA-C-N 116.008 -0.542 . . . . 62.4 110.582 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.8 t -59.35 -28.54 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 71.13 110.295 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 98.4 mt-30 -86.92 -21.26 26.39 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.238 -0.437 . . . . 75.43 111.535 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.443 HG21 ' O ' ' A' ' 22' ' ' SER . 41.0 p -78.09 -30.38 49.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.879 0.371 . . . . 74.13 110.074 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.93 -40.41 12.4 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.522 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 3.2 mmp_? -141.74 175.18 9.91 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.905 0.384 . . . . 75.44 111.075 -174.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.29 91.75 4.64 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.732 -0.84 . . . . 70.41 108.732 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.497 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 6.5 p -165.46 115.28 1.05 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.787 -1.097 . . . . 65.23 108.836 -175.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -58.76 144.94 43.66 Favored Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.653 -0.703 . . . . 71.13 111.791 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.71 133.07 10.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.803 -0.713 . . . . 42.12 112.226 -175.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.68 161.7 34.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.374 -0.973 . . . . 74.13 108.374 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 73.5 m -114.61 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.069 -0.394 . . . . 61.24 110.605 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -135.8 169.28 17.81 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.609 -0.723 . . . . 63.53 109.764 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.56 32.88 79.63 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.369 -0.444 . . . . 55.12 112.533 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 t80 52.29 79.53 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.785 0.434 . . . . 71.21 110.723 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 14' ' ' CYS . 8.0 mpt_? 67.86 -32.33 0.2 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.756 1.021 . . . . 72.2 113.756 -178.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 39' ' ' ARG . 19.5 tpt180 -64.63 -39.12 93.15 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.304 0.483 . . . . 73.43 112.304 -168.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -112.74 158.99 19.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.265 0.555 . . . . 73.34 111.771 -177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.7 t -139.01 139.53 37.89 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.628 -0.878 . . . . 74.34 108.628 171.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -132.31 146.05 51.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.307 . . . . 64.02 110.478 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 89.0 m -114.9 133.96 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 45.24 110.487 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 HG21 ' HB3' ' A' ' 4' ' ' GLU . 25.5 p -114.69 125.82 54.16 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.312 -0.404 . . . . 64.24 110.01 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.497 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 12.3 t -117.89 152.69 34.91 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.956 -0.565 . . . . 64.42 110.1 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -68.15 96.8 0.66 Allowed 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.967 -0.753 . . . . 74.2 108.967 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.689 -0.672 . . . . 63.22 110.21 -175.267 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.501 -0.185 . . . . 73.41 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.2 m -67.15 112.13 4.28 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.176 -0.675 . . . . 75.21 109.176 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 t -118.24 131.98 56.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.558 -0.746 . . . . 53.21 110.157 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.84 149.23 37.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 75.4 110.204 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -144.64 -177.34 5.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.816 . . . . 44.33 109.59 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -114.65 147.83 39.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.978 -0.379 . . . . 73.04 109.978 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -114.2 99.74 7.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.699 0.761 . . . . 64.32 109.886 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -95.83 3.8 53.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.986 -1.007 . . . . 74.2 109.009 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -83.89 -37.82 21.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.936 -1.029 . . . . 71.23 109.365 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.44 141.71 58.23 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.691 -0.686 . . . . 72.33 109.991 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 8.8 mtpm? -82.14 105.68 13.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 41.4 111.928 -173.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.48 -147.74 22.43 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.989 -0.551 . . . . 63.52 112.998 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.0 -179.03 4.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.013 2.475 . . . . 71.22 111.704 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.413 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.9 m -75.56 90.2 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.708 -0.224 . . . . 72.15 110.537 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.58 66.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.068 0.461 . . . . 73.41 109.83 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -159.95 140.12 11.69 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.469 -0.787 . . . . 60.55 109.839 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.44 -50.77 64.56 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.603 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.57 -32.13 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.883 -0.599 . . . . 72.41 110.662 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.491 HD21 ' N ' ' A' ' 19' ' ' ASN . 0.8 OUTLIER -71.74 -51.84 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 71.33 110.097 -178.194 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.59 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.811 -0.44 . . . . 72.21 109.811 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 32' ' ' GLY . . . -63.73 -51.09 66.5 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.705 -0.68 . . . . 72.35 110.141 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.441 ' O ' HG22 ' A' ' 26' ' ' THR . 31.1 t -55.26 -50.07 70.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 74.31 109.868 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.14 -55.74 14.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 CA-C-O 121.244 0.545 . . . . 62.4 110.741 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.1 t -60.19 -25.58 65.68 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.39 -0.823 . . . . 71.13 110.735 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.98 -25.07 21.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.538 -0.301 . . . . 75.43 111.614 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 22' ' ' SER . 31.5 p -78.89 -30.99 45.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.675 0.274 . . . . 74.13 110.33 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.06 -43.08 12.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.796 -0.362 . . . . 75.14 111.371 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -143.47 179.95 6.79 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.618 0.247 . . . . 75.44 110.384 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.19 91.96 4.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.125 0.488 . . . . 70.41 110.188 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.0 p -165.64 114.78 1.01 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.558 -0.746 . . . . 65.23 109.353 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.86 126.1 17.1 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.555 -0.748 . . . . 71.13 112.129 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.429 ' O ' ' HB1' ' A' ' 21' ' ' ALA . . . -114.3 145.02 18.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.491 -0.861 . . . . 42.12 113.386 -170.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -151.61 -179.6 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.827 0.851 . . . . 74.13 109.005 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 40' ' ' ARG . 30.7 t -114.5 142.98 45.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.829 0.347 . . . . 61.24 110.817 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.01 105.96 0.45 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.745 -0.835 . . . . 63.53 108.745 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -80.16 0.67 Allowed Glycine 0 C--N 1.318 -0.472 0 CA-C-N 115.52 -0.764 . . . . 55.12 111.49 -173.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 27.9 t80 176.91 137.02 0.06 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.182 -0.673 . . . . 71.21 109.182 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 14' ' ' CYS . 13.0 mmm180 72.96 -27.4 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.05 0.759 . . . . 72.2 113.05 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -66.53 -69.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.684 0.624 . . . . 73.43 112.684 -168.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 13.9 tpp180 -158.44 139.63 13.23 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 121.105 -0.238 . . . . 73.34 110.468 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.16 126.26 39.28 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.444 0.64 . . . . 74.34 112.272 -171.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -117.77 145.28 44.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.93 . . . . 64.02 109.723 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.66 140.38 48.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.67 0.271 . . . . 45.24 110.284 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -115.7 137.18 52.34 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.514 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -158.38 -179.58 8.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 64.42 109.291 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -101.23 100.2 10.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.073 0.464 . . . . 74.2 110.929 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.713 -0.676 . . . . 63.22 109.245 175.124 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.376 -0.231 . . . . 73.41 110.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.2 m -93.17 125.83 37.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.802 -0.444 . . . . 75.21 109.802 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 53.3 t -114.83 99.95 7.86 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.987 -0.746 . . . . 53.21 108.987 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 12.9 pt-20 -116.79 140.36 49.53 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 75.4 112.022 -175.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -117.24 -169.89 1.74 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.73 -1.123 . . . . 44.33 108.814 174.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -115.23 163.43 15.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.608 -0.515 . . . . 73.04 109.608 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 t -114.12 141.06 47.96 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.284 -0.635 . . . . 64.32 109.284 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -138.4 5.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 74.2 110.911 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -94.14 -33.46 13.32 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.738 -0.468 . . . . 71.23 109.738 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.07 137.44 57.98 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.847 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.94 124.68 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.838 -0.619 . . . . 41.4 110.614 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.94 139.8 9.49 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.287 -0.482 . . . . 63.52 112.549 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.38 86.34 0.82 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.323 2.015 . . . . 71.22 111.663 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.6 m 65.49 35.89 7.0 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.642 -0.708 . . . . 72.15 110.987 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.93 -42.89 63.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.933 -0.576 . . . . 73.41 111.215 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -148.04 125.43 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.846 -0.798 . . . . 60.55 108.846 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -64.42 -43.19 95.13 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.222 0.453 . . . . 74.24 112.222 -172.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -63.88 -49.69 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.442 0.639 . . . . 72.41 109.57 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.55 -46.1 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.963 -1.017 . . . . 71.33 109.947 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 t -53.31 -48.66 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.065 -0.971 . . . . 72.21 110.465 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.97 83.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.726 -0.67 . . . . 72.35 111.068 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 t -59.96 -53.82 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.608 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.55 -39.4 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 116.071 -0.513 . . . . 62.4 110.964 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 45.1 t -65.49 -38.99 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 71.13 110.365 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.76 -31.02 67.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.635 -0.257 . . . . 75.43 110.861 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -72.66 -35.7 67.78 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.919 -0.312 . . . . 74.13 110.646 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 8.8 pt-20 -74.79 -50.09 18.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.209 -0.597 . . . . 75.14 110.476 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 28.4 mmm180 -140.29 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.642 0.377 . . . . 75.44 110.07 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -63.79 92.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.47 0.652 . . . . 70.41 110.293 176.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.464 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 13.6 p -167.89 117.04 0.78 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.678 -1.146 . . . . 65.23 108.871 -177.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 138.5 49.12 Favored Glycine 0 C--O 1.221 -0.685 0 N-CA-C 111.238 -0.745 . . . . 71.13 111.238 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.1 128.83 8.43 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 119.659 -1.257 . . . . 42.12 113.496 -166.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -134.51 172.56 12.75 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.899 -0.778 . . . . 74.13 108.899 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -115.44 138.07 51.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.004 -0.369 . . . . 61.24 110.004 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.98 128.58 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.628 -0.879 . . . . 63.53 108.628 171.391 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.83 -72.55 0.52 Allowed Glycine 0 CA--C 1.518 0.266 0 O-C-N 123.34 0.4 . . . . 55.12 114.015 -173.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -71.81 -30.06 65.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.998 0.428 . . . . 71.21 110.69 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.46 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 8.3 tpt180 -69.92 -28.25 65.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 72.2 109.899 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 47.84 63.69 1.92 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.483 -0.78 . . . . 73.43 110.927 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -159.11 147.3 17.9 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.65 -0.705 . . . . 73.34 110.139 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 m -73.83 113.8 11.4 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.394 -0.821 . . . . 74.34 111.943 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -119.54 138.11 53.39 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.495 -0.928 . . . . 64.02 108.495 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 61.8 m -122.13 149.4 43.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.251 -0.431 . . . . 45.24 110.991 -171.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.413 HG22 ' HB3' ' A' ' 4' ' ' GLU . 40.3 p -114.47 143.7 44.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.17 0.51 . . . . 64.24 110.49 -175.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.464 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 13.6 t -142.37 -179.81 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.379 -0.828 . . . . 64.42 109.804 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -99.93 100.35 11.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.061 -0.518 . . . . 74.2 110.351 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 3' ' ' CYS . 81.2 m . . . . . 0 C--O 1.248 1.013 0 N-CA-C 109.299 -0.63 . . . . 63.22 109.299 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.558 0.218 . . . . 73.41 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.3 m -73.63 124.14 25.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.77 -0.456 . . . . 75.21 109.77 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -114.95 149.4 37.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.951 -0.568 . . . . 53.21 109.685 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.73 150.47 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.978 0.418 . . . . 75.4 110.055 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -152.7 -170.32 3.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 44.33 109.189 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 57.5 tt0 -135.37 157.43 46.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.76 -0.459 . . . . 73.04 109.76 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.4 t -114.52 119.44 36.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.464 0.65 . . . . 64.32 109.839 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -110.7 -3.3 15.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 74.2 109.653 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.39 -26.49 51.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.296 -0.865 . . . . 71.23 110.026 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -69.35 159.53 32.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.51 -0.768 . . . . 72.33 110.531 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -94.02 108.35 20.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.279 -0.418 . . . . 41.4 110.946 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.98 -157.6 48.79 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.382 -0.437 . . . . 63.52 112.518 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.44 -177.45 3.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.963 2.442 . . . . 71.22 111.843 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.28 88.76 0.08 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.051 -0.522 . . . . 72.15 110.751 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.86 -34.49 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.611 -0.722 . . . . 73.41 110.56 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 m -144.32 129.49 18.67 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.005 -0.543 . . . . 60.55 110.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.76 -57.73 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 74.24 110.997 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -57.0 -46.1 82.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.802 -0.636 . . . . 72.41 110.51 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.89 -52.96 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 71.33 110.502 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -45.8 90.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.148 0.499 . . . . 72.21 110.24 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.49 -45.34 94.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.471 -0.786 . . . . 72.35 110.662 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -61.87 -46.42 89.51 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.081 0.467 . . . . 74.31 110.319 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -57.85 -49.25 81.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 115.968 -0.56 . . . . 62.4 110.643 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 48.8 t -62.2 -43.64 98.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.301 -0.409 . . . . 71.13 110.631 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 99.6 mt-30 -65.12 -33.7 76.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.586 -0.279 . . . . 75.43 111.181 -178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -74.4 -41.93 60.09 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.548 -0.296 . . . . 74.13 110.863 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.58 -35.86 75.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.462 -0.495 . . . . 75.14 110.478 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.448 HH22 HG21 ' A' ' 45' ' ' THR . 73.0 ttp85 -172.71 122.27 0.42 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.533 0.333 . . . . 75.44 110.122 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -44.08 101.8 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.481 0.657 . . . . 70.41 112.19 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.8 m -158.74 117.12 2.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.638 -1.245 . . . . 65.23 107.638 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -48.8 147.57 5.33 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.818 -0.628 . . . . 71.13 112.148 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.53 118.32 4.34 Favored Glycine 0 C--O 1.235 0.193 0 C-N-CA 120.703 -0.761 . . . . 42.12 112.303 -172.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -124.54 154.98 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.11 -0.7 . . . . 74.13 109.11 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -114.98 107.97 16.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.005 0.431 . . . . 61.24 110.362 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -136.87 145.45 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.333 -0.618 . . . . 63.53 109.333 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.87 166.59 12.09 Favored Glycine 0 C--O 1.234 0.106 0 C-N-CA 121.245 -0.502 . . . . 55.12 111.987 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -54.42 -40.68 68.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.831 0.348 . . . . 71.21 111.325 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -109.73 21.74 16.55 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.362 -0.381 . . . . 72.2 110.194 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 56.78 78.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 73.43 110.547 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -82.53 156.99 23.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.0 -0.37 . . . . 73.34 110.0 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.5 109.9 18.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.953 -0.567 . . . . 74.34 109.955 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 68.3 m-85 -114.72 139.06 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.49 -0.559 . . . . 64.02 109.49 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 74.4 m -114.72 142.85 45.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.251 -0.431 . . . . 45.24 111.365 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -114.81 117.8 31.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.704 -0.68 . . . . 64.24 109.938 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.448 HG21 HH22 ' A' ' 28' ' ' ARG . 14.1 t -124.51 -179.8 4.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.143 -0.935 . . . . 64.42 109.323 -176.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -125.77 114.94 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.852 0.358 . . . . 74.2 110.912 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.255 -0.878 . . . . 63.22 109.77 178.382 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 1' ' ' ARG . 4.6 mmp_? . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.734 0.302 . . . . 73.41 110.955 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.0 m -93.34 158.67 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.923 -0.769 . . . . 75.21 108.923 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.59 100.16 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.79 -0.818 . . . . 53.21 108.79 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.21 152.79 38.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.546 . . . . 75.4 110.73 -173.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -157.51 -169.85 3.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 44.33 109.849 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 45.9 tt0 -122.12 144.44 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.571 0.348 . . . . 73.04 110.21 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.0 p -114.68 135.19 54.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.945 0.402 . . . . 64.32 110.567 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -126.87 6.45 6.65 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.316 -0.402 . . . . 74.2 110.574 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HZ2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.71 -33.31 74.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.077 -0.712 . . . . 71.23 109.077 174.072 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.98 143.64 51.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 114.838 -1.074 . . . . 72.33 110.588 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -84.33 115.16 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 41.4 111.221 -174.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.1 -157.48 49.01 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.294 -0.866 . . . . 63.52 113.59 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.09 165.39 32.1 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.774 2.316 . . . . 71.22 111.854 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.5 85.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 72.15 111.671 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.14 64.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.219 0.533 . . . . 73.41 109.858 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -140.77 117.24 10.8 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.577 -0.738 . . . . 60.55 109.999 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.26 -35.67 76.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.43 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -66.23 -42.61 88.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.076 0.465 . . . . 72.41 109.94 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -66.21 -45.64 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 71.33 109.759 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.7 t -55.81 -42.6 75.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.589 -0.732 . . . . 72.21 110.252 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.74 -53.27 59.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.742 -0.663 . . . . 72.35 110.885 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -56.25 -47.43 78.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 74.31 110.626 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 55.0 t -57.72 -51.5 69.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 115.871 -0.604 . . . . 62.4 110.725 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 29' ' ' PHE . 44.3 t -59.41 -35.58 74.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.895 -0.593 . . . . 71.13 111.052 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.568 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 79.7 mt-30 -72.69 -32.53 65.85 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.213 -0.448 . . . . 75.43 111.005 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.1 p -73.92 -29.64 62.15 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.112 -0.329 . . . . 74.13 110.112 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 31.2 mt-10 -64.49 -78.13 0.05 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.293 -0.412 . . . . 75.14 110.75 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -153.86 -41.12 0.09 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.52 -0.309 . . . . 75.44 111.681 -175.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.737 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 51.6 m-85 -75.13 152.24 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 70.41 111.33 -168.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -84.64 -22.79 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.784 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.74 149.01 19.61 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.69 -0.564 . . . . 71.13 111.69 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.41 138.38 5.94 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.254 -0.738 . . . . 42.12 111.254 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HG2' ' H ' ' A' ' 34' ' ' CYS . 48.5 ttp85 -165.25 -179.06 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.429 -0.582 . . . . 74.13 109.429 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.571 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 13.9 m -114.05 136.8 52.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.14 0.495 . . . . 61.24 110.27 -169.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.91 112.44 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.461 -0.79 . . . . 63.53 111.997 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.87 -114.11 0.28 Allowed Glycine 0 N--CA 1.463 0.45 0 CA-C-N 114.695 -1.139 . . . . 55.12 114.321 174.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.64 -2.13 28.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 71.21 110.851 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -66.35 -27.8 68.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.14 -0.482 . . . . 72.2 110.405 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 64.2 20.62 12.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.833 -0.622 . . . . 73.43 111.073 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -98.52 134.48 41.42 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.938 -0.574 . . . . 73.34 109.68 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -76.22 118.99 19.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.299 0.481 . . . . 74.34 112.299 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 67.1 m-85 -117.0 158.75 23.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.453 -0.794 . . . . 64.02 108.871 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -130.16 146.32 51.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.386 -0.37 . . . . 45.24 111.474 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.2 p -120.67 139.8 52.52 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.512 -0.767 . . . . 64.24 110.665 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.8 t -158.65 -179.69 8.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.713 -0.676 . . . . 64.42 109.249 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -115.54 129.96 56.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.748 0.308 . . . . 74.2 110.294 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.687 -0.486 . . . . 63.22 109.687 -179.267 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.55 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 1.5 mmp_? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.23 0.538 . . . . 73.41 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 m -140.4 145.03 36.53 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.562 -0.744 . . . . 75.21 109.857 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -114.94 142.03 47.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 53.21 110.062 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HB3' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -128.19 150.01 50.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 75.4 110.447 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -142.18 -177.01 5.03 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.309 -0.626 . . . . 44.33 109.309 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.639 ' NE2' ' HD2' ' A' ' 40' ' ' ARG . 51.4 tt0 -114.23 146.77 39.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.457 -0.571 . . . . 73.04 109.457 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.2 m -114.17 99.69 7.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.327 0.584 . . . . 64.32 110.103 -172.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -113.3 20.46 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.331 -0.85 . . . . 74.2 110.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HZ3' ' CD ' ' A' ' 27' ' ' GLU . 39.0 ttmt -84.62 -28.08 26.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.364 -0.835 . . . . 71.23 109.149 172.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -68.13 142.94 55.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.989 -1.005 . . . . 72.33 109.795 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -76.82 111.23 12.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 41.4 110.775 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.45 174.02 29.78 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.045 -0.525 . . . . 63.52 112.512 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.71 43.0 1.27 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.227 2.618 . . . . 71.22 112.436 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t 64.0 108.34 0.03 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.265 0.555 . . . . 72.15 110.678 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . . . -93.48 -55.34 3.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 73.41 110.426 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -120.24 123.9 44.35 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.957 -0.565 . . . . 60.55 110.952 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 14.6 t70 -47.64 -58.87 3.75 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.211 -0.904 . . . . 74.24 111.168 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -55.14 -41.18 71.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.8 -0.636 . . . . 72.41 111.504 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -68.43 -46.83 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 71.33 111.068 -174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.74 -40.8 97.61 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.482 -0.562 . . . . 72.21 109.482 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.28 -49.16 78.71 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.31 -0.859 . . . . 72.35 110.674 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.1 t -61.92 -41.79 98.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.282 -177.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -56.73 -52.2 57.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.195 0.522 . . . . 62.4 110.235 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.84 -33.95 69.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.514 -0.766 . . . . 71.13 110.349 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -77.14 -30.63 55.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.798 -0.637 . . . . 75.43 111.521 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.7 p -77.16 -33.95 56.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.551 0.215 . . . . 74.13 110.947 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' CD ' ' HZ3' ' A' ' 9' ' ' LYS . 10.7 pt-20 -77.33 -50.11 13.51 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.659 -0.416 . . . . 75.14 110.813 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -142.81 -174.17 4.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.952 0.406 . . . . 75.44 110.671 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.78 99.42 9.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.459 0.647 . . . . 70.41 109.94 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 t -162.92 112.94 1.4 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.912 -1.04 . . . . 65.23 108.515 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.09 123.34 32.29 Favored Glycine 0 C--O 1.23 -0.142 0 CA-C-N 115.986 -0.552 . . . . 71.13 112.016 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.57 149.65 18.77 Favored Glycine 0 C--O 1.234 0.148 0 C-N-CA 120.831 -0.699 . . . . 42.12 112.955 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -145.06 169.0 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.154 0.581 . . . . 74.13 110.011 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 7.0 t -114.61 100.32 8.19 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.601 -0.518 . . . . 61.24 109.601 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.626 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -153.36 157.7 40.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.574 -0.739 . . . . 63.53 109.392 -173.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.33 -150.31 19.88 Favored Glycine 0 N--CA 1.452 -0.261 0 N-CA-C 111.647 -0.581 . . . . 55.12 111.647 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -63.72 -58.36 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.412 -0.588 . . . . 71.21 109.412 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -118.52 -60.72 1.75 Allowed 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.32 -0.855 . . . . 72.2 109.581 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' NH2' ' HA ' ' A' ' 15' ' ' ALA . 57.8 mtp180 -151.89 110.56 3.81 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.683 -0.69 . . . . 73.43 110.641 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.639 ' HD2' ' NE2' ' A' ' 6' ' ' GLN . 27.2 mtm180 -142.28 174.88 10.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.552 -0.749 . . . . 73.34 109.443 173.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.3 t -128.5 132.98 48.35 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.504 -0.554 . . . . 74.34 109.504 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.37 141.37 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.631 -0.259 . . . . 64.02 110.73 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.8 m -115.79 150.01 37.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.22 -0.445 . . . . 45.24 110.282 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.412 HG21 ' HB3' ' A' ' 4' ' ' GLU . 31.5 p -132.55 130.08 39.88 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 116.301 -0.409 . . . . 64.24 111.327 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.7 t -142.48 165.06 28.44 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.804 -0.635 . . . . 64.42 109.479 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.48 139.35 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 74.2 111.527 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.165 -0.922 . . . . 63.22 109.434 173.117 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.812 0.339 . . . . 73.41 110.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.9 m -79.03 132.32 36.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.182 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -117.44 158.45 24.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.938 -0.393 . . . . 53.21 109.938 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.17 162.72 24.03 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.168 0.509 . . . . 75.4 110.807 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -143.89 175.74 9.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.325 -0.852 . . . . 44.33 109.061 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -114.57 145.3 42.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.709 -0.478 . . . . 73.04 109.709 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -114.66 107.91 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.178 0.513 . . . . 64.32 110.324 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -112.7 11.83 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.41 -0.814 . . . . 74.2 109.317 171.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -76.55 -42.8 41.64 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.197 -1.038 . . . . 71.23 108.197 172.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.5 130.93 48.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.514 -0.766 . . . . 72.33 109.648 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.692 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 8.7 mtpm? -121.29 140.6 51.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 41.4 110.589 -175.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.91 -158.69 14.16 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 116.128 -0.487 . . . . 63.52 112.361 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.73 115.4 3.84 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.752 2.302 . . . . 71.22 111.56 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 41' ' ' CYS . 16.0 t -80.23 68.67 6.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.407 0.623 . . . . 72.15 109.779 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.68 -40.51 5.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.378 -0.828 . . . . 73.41 109.517 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -79.7 81.55 5.94 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-O 121.556 0.693 . . . . 60.55 110.257 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -58.13 -35.69 71.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.323 -0.853 . . . . 74.24 110.565 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.4 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.464 -0.569 . . . . 72.41 109.464 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.82 -51.14 61.47 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 71.33 109.662 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -61.57 -37.81 85.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.039 -0.528 . . . . 72.21 110.161 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.31 -48.48 79.65 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.884 -0.598 . . . . 72.35 110.534 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -55.38 -50.84 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.052 -0.522 . . . . 74.31 109.685 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.03 -53.58 26.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 115.441 -0.8 . . . . 62.4 110.837 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.36 -35.51 74.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.866 -0.606 . . . . 71.13 110.548 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 77.7 mt-30 -77.32 -30.08 53.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.128 -0.487 . . . . 75.43 111.454 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -76.48 -29.18 56.76 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.89 0.376 . . . . 74.13 110.118 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.31 -61.25 2.0 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.027 -0.533 . . . . 75.14 111.577 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -129.85 178.9 6.18 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.151 0.501 . . . . 75.44 111.467 -174.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -93.1 88.63 6.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.635 0.731 . . . . 70.41 109.449 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.419 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 13.1 p -165.3 116.68 1.12 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.42 -1.264 . . . . 65.23 108.829 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 151.22 37.96 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.593 -0.731 . . . . 71.13 111.57 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.85 145.75 18.7 Favored Glycine 0 C--O 1.236 0.219 0 C-N-CA 120.648 -0.787 . . . . 42.12 112.989 -173.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -161.89 143.27 11.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.553 -0.536 . . . . 74.13 109.553 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 41' ' ' CYS . 40.8 t -114.61 122.89 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.429 -0.582 . . . . 61.24 109.429 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 18.4 tpt180 -82.13 127.14 32.84 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.012 0.434 . . . . 63.53 110.263 -174.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.23 65.73 4.02 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.69 -0.686 . . . . 55.12 114.406 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -92.6 -87.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.291 -1.003 . . . . 71.21 108.291 167.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -111.14 -56.33 2.38 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 108.601 -0.888 . . . . 72.2 108.601 167.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -177.59 110.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.611 -0.722 . . . . 73.43 109.937 172.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -159.3 120.71 3.31 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.582 -0.525 . . . . 73.34 109.582 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.436 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 21.8 t -91.92 152.21 20.16 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.866 -0.607 . . . . 74.34 110.591 -176.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -140.97 151.25 44.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.585 -0.734 . . . . 64.02 109.773 -177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 92.8 m -124.76 137.18 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.041 -0.355 . . . . 45.24 110.041 178.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.82 140.82 48.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.848 0.356 . . . . 64.24 110.472 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -147.41 -179.98 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 64.42 110.212 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -112.12 118.26 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.282 0.233 . . . . 74.2 110.894 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.9 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.7 -0.666 . . . . 63.22 110.141 176.466 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.599 ' HG2' ' HB2' ' A' ' 47' ' ' CYS . 45.2 ttp180 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.224 0.535 . . . . 73.41 109.733 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.0 m -117.32 135.51 53.79 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.765 -0.652 . . . . 75.21 110.31 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 96.2 m -114.68 136.52 52.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.363 -0.38 . . . . 53.21 110.202 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' HB3' HG22 ' A' ' 44' ' ' THR . 13.5 pt-20 -114.91 108.87 17.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.744 0.783 . . . . 75.4 110.426 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -101.3 -169.47 1.7 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.954 -1.021 . . . . 44.33 109.547 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 59.8 tt0 -114.6 160.34 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.428 -0.582 . . . . 73.04 109.428 -178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 m -114.19 124.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.965 0.412 . . . . 64.32 110.614 -174.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -127.67 3.24 6.11 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.871 -0.604 . . . . 74.2 110.844 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -85.67 -11.96 52.48 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 108.981 -0.748 . . . . 71.23 108.981 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.93 149.47 29.39 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 114.962 -1.017 . . . . 72.33 110.153 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -107.12 128.66 54.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 41.4 111.142 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.57 -170.37 54.15 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.905 -0.588 . . . . 63.52 113.124 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.34 176.77 9.2 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.757 2.305 . . . . 71.22 111.307 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.4 t -72.32 86.65 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 72.15 110.138 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.77 -29.82 70.38 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.821 -0.627 . . . . 73.41 110.321 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -173.09 136.53 0.65 Allowed 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.532 -0.758 . . . . 60.55 109.96 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -55.03 -37.34 66.54 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.979 -0.555 . . . . 74.24 109.872 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -67.74 -35.32 78.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.69 -0.686 . . . . 72.41 110.144 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -66.98 -44.04 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.152 -0.685 . . . . 71.33 109.152 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.88 -41.57 78.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.537 -0.756 . . . . 72.21 110.036 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.88 -57.54 12.59 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.963 -0.562 . . . . 72.35 110.671 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 26' ' ' THR . 23.2 t -54.16 -47.22 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 74.31 110.633 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.11 -51.73 69.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 116.106 -0.497 . . . . 62.4 110.79 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 13.3 t -64.17 -31.78 73.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.08 0.467 . . . . 71.13 110.627 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.25 -33.85 67.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.036 -0.529 . . . . 75.43 110.61 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 22' ' ' SER . 72.7 p -78.3 -22.66 47.84 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.939 -0.304 . . . . 74.13 110.644 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.61 -53.09 62.08 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.24 -0.281 . . . . 75.14 110.24 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HB3' ' H ' ' A' ' 29' ' ' PHE . 22.3 ttm180 -168.59 -91.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.59 -0.277 . . . . 75.44 110.678 174.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' H ' ' HB3' ' A' ' 28' ' ' ARG . 76.3 m-85 -147.78 86.51 1.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.317 -0.623 . . . . 70.41 109.317 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.638 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 31.2 m -159.92 116.66 2.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.747 -0.834 . . . . 65.23 108.747 -174.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.46 139.33 48.2 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 111.257 -0.737 . . . . 71.13 111.257 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.88 130.82 9.41 Favored Glycine 0 C--O 1.235 0.188 0 C-N-CA 120.541 -0.838 . . . . 42.12 112.307 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -144.07 179.64 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.491 -0.559 . . . . 74.13 109.491 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.1 m -130.32 134.04 46.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.957 -0.757 . . . . 61.24 108.957 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -116.78 14.85 15.34 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.296 0.569 . . . . 63.53 110.949 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -126.08 152.97 18.33 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 109.977 -1.249 . . . . 55.12 109.977 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -63.68 93.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.38 0.59 . . . . 71.21 110.429 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 64.86 23.05 12.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.484 -0.78 . . . . 72.2 109.99 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -149.2 163.95 36.16 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.442 -0.799 . . . . 73.43 110.149 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 24.9 ttt180 58.02 93.76 0.03 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.593 0.711 . . . . 73.34 112.26 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.72 137.28 32.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.108 -0.951 . . . . 74.34 110.423 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.493 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 45.6 m-85 -125.99 152.45 45.7 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.957 0.503 . . . . 64.02 110.407 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -121.47 138.96 54.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.516 . . . . 45.24 110.398 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 4' ' ' GLU . 31.6 p -114.65 126.43 54.88 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.988 -0.551 . . . . 64.24 109.951 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -148.07 172.26 14.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.196 -0.456 . . . . 64.42 110.903 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -74.99 134.39 41.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 74.2 110.4 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.599 ' HB2' ' HG2' ' A' ' 1' ' ' ARG . 23.4 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.292 -0.861 . . . . 63.22 110.253 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 1' ' ' ARG . 11.4 ptp180 . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.728 0.299 . . . . 73.41 110.725 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.0 m -104.73 115.41 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.339 -0.615 . . . . 75.21 109.339 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.9 135.8 53.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.573 -0.285 . . . . 53.21 110.923 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 10.6 pt-20 -114.83 109.7 18.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.62 0.724 . . . . 75.4 110.362 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -96.71 -168.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.988 . . . . 44.33 109.537 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -114.44 148.81 37.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.785 -0.45 . . . . 73.04 109.785 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.9 t -114.34 119.68 37.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.55 0.69 . . . . 64.32 110.451 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -107.34 19.65 20.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 74.2 109.436 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 28.1 tptp -111.89 -15.2 13.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.622 -0.717 . . . . 71.23 110.288 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.39 165.99 21.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.759 -0.655 . . . . 72.33 110.569 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -86.27 104.47 15.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.123 -0.489 . . . . 41.4 111.368 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.85 -148.38 39.75 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.974 -0.557 . . . . 63.52 113.173 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 12.8 Cg_exo -69.97 -69.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.692 2.261 . . . . 71.22 111.861 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 9.2 t -153.51 172.07 17.73 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.441 -1.254 . . . . 72.15 110.261 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.604 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -151.97 -40.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.95 -0.759 . . . . 73.41 108.95 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -177.07 145.15 0.46 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.04 -0.982 . . . . 60.55 109.076 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -57.99 -35.12 70.77 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.017 -0.734 . . . . 74.24 109.017 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -58.87 -50.69 73.07 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 114.933 -1.03 . . . . 72.41 110.339 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.23 -48.75 76.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.35 -0.841 . . . . 71.33 110.396 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.2 m -58.04 -39.31 78.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 72.21 110.917 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -57.72 11.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 72.35 110.328 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.1 t -51.84 -56.24 15.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.64 -0.709 . . . . 74.31 111.047 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 90.5 t -58.41 -53.97 39.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 62.4 110.98 -177.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -60.95 -36.58 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.607 -0.269 . . . . 71.13 110.511 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -70.94 -34.19 71.24 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.713 0.292 . . . . 75.43 110.974 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -74.6 -27.85 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.481 . . . . 74.13 110.472 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 76.6 mm-40 -79.24 -38.71 34.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.312 177.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -167.06 159.26 12.97 Favored 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 109.921 -0.4 . . . . 75.44 109.921 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.96 84.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 70.41 110.046 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -163.44 117.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.132 -0.94 . . . . 65.23 108.634 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.25 177.99 6.71 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.779 -0.528 . . . . 71.13 111.779 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.07 163.53 25.07 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.543 -0.837 . . . . 42.12 113.174 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -165.18 170.85 14.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.196 0.599 . . . . 74.13 109.732 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.99 120.36 39.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.582 -0.896 . . . . 61.24 108.582 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 23.7 tpt180 -136.8 159.08 42.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.372 -0.377 . . . . 63.53 110.436 -170.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 162.03 36.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.191 -0.528 . . . . 55.12 112.659 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -65.37 -29.7 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 71.21 110.415 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -76.7 -11.83 59.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.451 -0.795 . . . . 72.2 110.696 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? 57.41 63.22 1.92 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.619 -0.511 . . . . 73.43 109.619 -171.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -99.5 160.97 13.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.135 -0.32 . . . . 73.34 110.135 -178.364 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.1 t -82.47 114.85 21.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.082 -0.508 . . . . 74.34 111.111 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 28.1 m-85 -114.82 154.91 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.727 -0.67 . . . . 64.02 109.813 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 67.1 m -114.9 142.66 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 45.24 110.698 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.9 p -114.73 116.24 28.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 64.24 110.417 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -131.27 -179.93 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 64.42 110.205 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -102.51 128.89 48.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.939 0.4 . . . . 74.2 111.228 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.7 -0.666 . . . . 63.22 109.364 172.415 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.992 0.425 . . . . 73.41 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 m -108.41 130.6 55.23 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.651 -0.704 . . . . 75.21 110.126 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.85 154.38 28.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 53.21 109.732 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 11.0 tt0 -114.73 152.82 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.863 -0.421 . . . . 75.4 109.863 -175.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -143.14 171.54 13.94 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.602 -0.888 . . . . 44.33 108.602 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -114.78 137.35 52.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 73.04 110.223 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 p -114.49 99.68 7.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 64.32 110.28 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -86.63 1.3 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.797 -0.638 . . . . 74.2 109.648 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.41 -35.42 80.87 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.83 -0.804 . . . . 71.23 108.83 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -82.29 115.79 21.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.076 -0.966 . . . . 72.33 108.91 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.715 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.17 116.24 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.297 0.57 . . . . 41.4 111.867 -172.649 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.4 -151.69 19.97 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.847 -0.615 . . . . 63.52 113.145 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -84.3 164.92 12.85 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.219 2.613 . . . . 71.22 111.588 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.97 77.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 72.15 110.0 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.09 67.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.601 -0.727 . . . . 73.41 111.303 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -146.73 134.4 21.07 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 116.28 -0.418 . . . . 60.55 110.564 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -54.37 47.3 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.218 -0.901 . . . . 74.24 110.234 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -52.46 -45.31 66.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.406 -0.815 . . . . 72.41 110.659 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 23' ' ' VAL . 3.0 m-20 -63.63 -56.72 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 71.33 111.088 -176.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.53 -51.48 66.92 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.206 0.527 . . . . 72.21 110.217 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -57.17 -53.89 52.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.291 -0.868 . . . . 72.35 111.252 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.51 -44.66 93.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.12 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 19' ' ' ASN . 69.5 t -58.89 -50.05 80.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.944 -0.391 . . . . 62.4 109.944 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.475 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.6 t -58.32 -46.74 85.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.958 -0.565 . . . . 71.13 110.942 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.7 mt-30 -63.73 -32.9 74.54 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.729 0.3 . . . . 75.43 111.06 -176.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 p -76.38 -35.23 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 74.13 110.975 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 10.1 pt-20 -77.28 -28.55 53.48 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.873 -0.331 . . . . 75.14 111.182 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.542 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 1.7 tpm_? -171.81 143.16 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.398 0.279 . . . . 75.44 110.453 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.43 98.91 0.07 Allowed 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.923 0.868 . . . . 70.41 110.325 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.706 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 75.8 m -167.4 120.4 0.94 Allowed 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 113.464 -1.698 . . . . 65.23 108.627 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 178.89 1.01 Allowed Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.874 -0.603 . . . . 71.13 112.341 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.48 146.22 18.69 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.944 -0.646 . . . . 42.12 112.538 -173.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -148.95 155.13 40.38 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.689 0.395 . . . . 74.13 110.201 -174.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -114.79 111.7 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.524 -0.547 . . . . 61.24 109.524 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -139.27 141.01 37.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.602 -0.518 . . . . 63.53 109.602 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.39 166.33 12.89 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.515 -0.634 . . . . 55.12 111.515 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -65.4 -39.92 92.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.35 . . . . 71.21 110.852 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -98.7 16.05 23.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.981 0.42 . . . . 72.2 110.115 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 4.3 mpt_? 56.22 77.62 0.24 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.697 -0.683 . . . . 73.43 111.06 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.81 152.43 23.02 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.378 -0.601 . . . . 73.34 109.378 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.8 t -70.72 112.77 7.2 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 123.446 0.466 . . . . 74.34 109.971 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -114.76 171.01 7.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.63 . . . . 64.02 109.438 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.706 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 78.6 m -130.53 145.69 51.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.817 -0.628 . . . . 45.24 110.783 -173.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -114.77 113.26 24.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.176 0.512 . . . . 64.24 110.119 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -118.74 167.57 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.58 -0.737 . . . . 64.42 110.06 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -101.16 126.1 47.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.353 -0.24 . . . . 74.2 110.353 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.966 -0.54 . . . . 63.22 109.829 175.744 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.677 0.275 . . . . 73.41 110.277 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 m -98.43 121.65 40.64 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.996 -0.372 . . . . 75.21 109.996 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 31.5 m -114.81 136.69 52.8 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 109.956 -0.387 . . . . 53.21 109.956 176.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.493 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 38.5 tt0 -114.84 130.96 56.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.267 -0.879 . . . . 75.4 109.978 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -129.35 -170.54 2.3 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.162 -1.051 . . . . 44.33 108.162 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -114.63 153.37 30.29 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.672 -0.492 . . . . 73.04 109.672 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.3 p -114.66 100.09 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.265 0.555 . . . . 64.32 110.569 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.552 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 27.2 p-80 -88.01 -7.08 57.57 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.088 -0.505 . . . . 74.2 110.794 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' ' CD ' ' A' ' 27' ' ' GLU . 23.1 tptm -70.98 -20.5 62.42 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.235 -0.654 . . . . 71.23 109.235 174.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -91.14 108.67 20.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.225 -0.898 . . . . 72.33 109.794 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.35 105.42 9.59 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 110.205 -0.295 . . . . 41.4 110.205 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.75 178.54 15.45 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.401 -0.428 . . . . 63.52 112.876 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -81.84 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.025 2.483 . . . . 71.22 111.992 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.833 ' SG ' ' HG3' ' A' ' 39' ' ' ARG . 28.4 p -74.29 74.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.144 0.497 . . . . 72.15 110.142 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.95 62.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 73.41 110.639 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -149.92 124.86 9.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 60.55 109.858 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.96 -56.77 17.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.474 -0.33 . . . . 74.24 111.132 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -53.65 -43.03 68.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.24 -0.437 . . . . 72.41 110.41 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.32 -49.78 72.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 71.33 110.547 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.37 -46.7 83.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.646 -0.706 . . . . 72.21 110.225 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.8 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 72.35 110.757 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.517 ' O ' HG21 ' A' ' 26' ' ' THR . 16.0 t -59.6 -47.98 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.975 -0.557 . . . . 74.31 110.372 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.1 -48.31 86.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.372 0.606 . . . . 62.4 110.601 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 34.3 t -56.9 -34.08 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 71.13 110.019 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.5 mt-30 -84.74 -20.19 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.103 -0.498 . . . . 75.43 111.954 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.517 HG21 ' O ' ' A' ' 22' ' ' SER . 76.6 p -70.95 -27.95 64.12 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.492 -0.929 . . . . 74.13 108.492 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' CD ' ' HG2' ' A' ' 9' ' ' LYS . 38.7 mm-40 -71.21 -73.0 0.19 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.406 -0.815 . . . . 75.14 109.666 169.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 56.6 mtp85 -151.28 159.01 44.57 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.136 -0.69 . . . . 75.44 109.136 174.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.42 101.95 0.07 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.148 0.499 . . . . 70.41 111.058 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.446 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 53.9 m -158.4 115.22 2.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.604 -0.887 . . . . 65.23 108.604 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.08 154.54 10.11 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.854 -0.612 . . . . 71.13 112.315 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.03 113.27 2.91 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.91 -0.662 . . . . 42.12 112.587 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 33' ' ' ARG . 12.1 mmm180 -122.91 177.5 5.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 74.13 110.338 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 t -122.6 132.14 54.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.194 -0.457 . . . . 61.24 109.868 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.9 tpp180 -144.37 160.22 41.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 110.124 -0.325 . . . . 63.53 110.124 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.99 157.82 33.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.147 -0.549 . . . . 55.12 112.504 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -72.45 -18.19 61.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.096 0.474 . . . . 71.21 110.361 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -93.19 7.76 42.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.571 -0.741 . . . . 72.2 110.412 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.833 ' HG3' ' SG ' ' A' ' 14' ' ' CYS . 2.6 tpp180 60.58 42.95 13.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.697 -0.683 . . . . 73.43 110.65 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.552 ' NH2' ' HA ' ' A' ' 8' ' ' HIS . 18.1 tpt180 -83.83 151.01 25.38 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.59 -0.732 . . . . 73.34 111.346 -173.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 117.23 17.7 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.21 0.528 . . . . 74.34 111.74 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 10.0 m-85 -115.19 147.0 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.37 -0.832 . . . . 64.02 109.169 174.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 96.7 m -114.75 141.57 47.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.741 0.305 . . . . 45.24 110.777 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.6 p -114.56 115.43 27.18 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.331 -0.618 . . . . 64.24 109.331 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -122.85 169.01 11.55 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.825 0.345 . . . . 64.42 110.735 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -74.7 107.02 6.54 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.806 -0.634 . . . . 74.2 109.547 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 3' ' ' CYS . 11.3 t . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.016 -0.993 . . . . 63.22 110.258 -171.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.618 ' HD2' ' H1 ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.722 0.296 . . . . 73.41 111.42 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -88.81 131.35 35.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.427 -0.582 . . . . 75.21 109.427 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -114.39 134.39 55.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.43 -0.35 . . . . 53.21 110.297 -174.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.462 ' HB3' HG21 ' A' ' 44' ' ' THR . 12.8 pt-20 -114.52 158.41 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.291 0.567 . . . . 75.4 110.768 -178.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -145.78 -176.61 5.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.203 -1.036 . . . . 44.33 108.203 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -113.91 135.74 53.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.267 -0.642 . . . . 73.04 109.267 -173.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -114.63 100.01 7.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.382 0.611 . . . . 64.32 111.464 -167.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -98.51 10.72 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.377 -0.971 . . . . 74.2 108.377 168.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HZ3' ' CD ' ' A' ' 27' ' ' GLU . 14.6 mmmm -64.14 -40.27 95.79 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.93 -1.032 . . . . 71.23 109.36 174.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.38 115.31 8.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.472 -0.936 . . . . 72.33 108.472 171.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -59.68 98.64 0.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.194 0.521 . . . . 41.4 111.476 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.61 -171.81 21.41 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.664 -0.698 . . . . 63.52 112.381 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.84 150.41 73.62 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.316 2.011 . . . . 71.22 111.191 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.37 100.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 72.15 111.199 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.37 84.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.365 -0.38 . . . . 73.41 110.746 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -152.79 130.18 11.35 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.883 -0.599 . . . . 60.55 110.307 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -52.7 -56.62 14.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.328 -0.851 . . . . 74.24 111.337 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -55.09 -33.58 62.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.083 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -72.64 -53.22 12.41 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.76 -0.654 . . . . 71.33 109.967 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -61.07 -34.51 75.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.09 0.471 . . . . 72.21 109.861 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.525 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -63.55 -52.47 60.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.591 -0.732 . . . . 72.35 110.141 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -55.44 -47.34 76.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 74.31 110.359 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -57.16 -48.65 81.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.724 -0.671 . . . . 62.4 110.958 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.16 -34.79 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 71.13 110.6 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.1 mt-30 -76.68 -30.22 56.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.058 -0.519 . . . . 75.43 110.911 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -76.08 -39.91 54.27 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.672 -0.24 . . . . 74.13 111.145 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' CD ' ' HZ3' ' A' ' 9' ' ' LYS . 8.7 pt-20 -69.53 -44.41 71.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.437 -0.505 . . . . 75.14 111.362 -177.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HG3' ' H ' ' A' ' 29' ' ' PHE . 21.8 tpt180 -156.39 176.23 12.97 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.501 0.191 . . . . 75.44 111.118 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' H ' ' HG3' ' A' ' 28' ' ' ARG . 38.9 t80 -73.27 102.16 3.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.707 0.765 . . . . 70.41 110.153 172.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 p -177.03 114.79 0.1 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.97 -1.468 . . . . 65.23 110.029 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.29 145.29 38.96 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.865 -0.894 . . . . 71.13 110.865 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.53 148.89 18.85 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.514 -0.851 . . . . 42.12 112.759 -174.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -158.69 143.42 15.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.654 -0.869 . . . . 74.13 108.654 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.7 m -114.19 132.54 56.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.685 -0.487 . . . . 61.24 109.685 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 108.83 1.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.483 -0.562 . . . . 63.53 109.483 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.45 -103.85 1.78 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.956 -0.858 . . . . 55.12 110.956 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -132.63 -68.12 0.62 Allowed 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 122.546 0.338 . . . . 71.21 110.541 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -135.49 88.76 2.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.429 0.633 . . . . 72.2 111.85 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 10.3 ptp85 -149.95 -45.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.364 -0.834 . . . . 73.43 109.719 172.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 14.3 tpp180 -159.55 140.6 12.61 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.03 -0.532 . . . . 73.34 109.64 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.4 t -103.92 148.3 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.714 -0.476 . . . . 74.34 109.714 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -134.75 155.32 50.78 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.427 0.454 . . . . 64.02 110.297 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -124.69 149.87 46.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 45.24 110.356 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.462 HG21 ' HB3' ' A' ' 4' ' ' GLU . 24.1 p -131.51 130.21 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 64.24 110.402 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -131.1 178.86 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.031 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -97.19 128.49 44.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 74.2 111.024 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.782 -0.628 . . . . 63.22 109.962 173.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.134 -0.321 . . . . 73.41 110.134 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 m -103.55 128.85 50.71 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.393 -0.595 . . . . 75.21 109.393 173.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m -128.9 144.49 51.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 53.21 110.973 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 124.77 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.597 -0.729 . . . . 75.4 110.166 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -112.96 -176.19 2.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.236 -0.653 . . . . 44.33 109.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -117.83 141.95 47.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.819 0.342 . . . . 73.04 110.22 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 p -114.74 108.82 17.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.929 -0.578 . . . . 64.32 110.176 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -104.14 -3.24 24.7 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.695 -0.684 . . . . 74.2 109.631 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -66.38 -28.15 68.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.593 -0.73 . . . . 71.23 111.163 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.2 102.38 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.164 -0.68 . . . . 72.33 109.164 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -75.98 142.29 41.96 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.854 -0.612 . . . . 41.4 111.35 -172.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.15 -158.13 25.46 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 116.141 -0.481 . . . . 63.52 112.233 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -87.25 177.98 3.66 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.235 2.624 . . . . 71.22 111.416 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.9 t -75.19 75.42 2.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 72.15 109.351 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.34 83.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.579 -0.737 . . . . 73.41 111.291 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.1 t -160.04 130.36 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.172 -0.467 . . . . 60.55 110.284 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -63.16 -40.16 96.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.492 . . . . 74.24 110.074 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -64.49 -37.55 87.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.508 -0.769 . . . . 72.41 109.743 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -75.46 -38.31 59.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.652 -0.704 . . . . 71.33 110.747 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.3 t -55.89 -48.29 75.88 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 109.546 -0.538 . . . . 72.21 109.546 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.48 85.74 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.507 -0.77 . . . . 72.35 110.681 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 t -55.17 -53.48 55.44 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.797 -0.638 . . . . 74.31 110.723 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.94 -52.96 48.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.943 -0.572 . . . . 62.4 110.57 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -56.13 -41.49 75.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 71.13 110.561 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -72.47 -36.58 68.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.553 -0.294 . . . . 75.43 111.462 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -67.97 -27.48 66.63 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.926 0.393 . . . . 74.13 110.22 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -75.25 -53.71 8.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.077 -0.511 . . . . 75.14 110.371 173.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.4 148.52 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 75.44 109.825 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.32 102.93 0.34 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.561 0.696 . . . . 70.41 109.842 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 49.8 m -162.98 113.18 1.4 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.397 -1.274 . . . . 65.23 109.492 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.08 117.51 10.46 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 111.283 -0.727 . . . . 71.13 111.283 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -114.37 132.03 10.23 Favored Glycine 0 C--N 1.328 0.128 0 C-N-CA 120.525 -0.845 . . . . 42.12 113.169 -168.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 2.8 mmp_? -120.53 176.07 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.578 -0.527 . . . . 74.13 109.578 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 t -114.75 149.13 37.38 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.985 0.422 . . . . 61.24 110.449 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.773 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 4.4 tpm_? -123.38 120.89 34.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 63.53 109.497 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.93 -106.47 1.93 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.456 -0.658 . . . . 55.12 111.456 -176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 t80 176.93 -35.71 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.83 0.348 . . . . 71.21 110.401 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -52.35 -53.9 38.71 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.865 -0.607 . . . . 72.2 111.314 -175.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 178.61 84.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 110.132 -0.321 . . . . 73.43 110.132 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.773 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -159.24 130.59 6.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.462 -0.336 . . . . 73.34 110.494 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.07 137.17 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 74.34 109.79 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -129.57 133.13 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.391 -0.368 . . . . 64.02 110.092 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.519 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 79.2 m -115.02 144.21 43.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.112 -0.494 . . . . 45.24 110.63 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -120.7 135.67 55.07 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.295 -0.411 . . . . 64.24 110.112 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -147.09 170.16 17.74 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.959 -0.564 . . . . 64.42 110.468 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -82.76 110.09 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.829 -0.623 . . . . 74.2 109.972 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.247 0.961 0 N-CA-C 108.965 -0.754 . . . . 63.22 108.965 175.353 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 1' ' ' ARG . 19.2 ptt-85 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.488 -0.19 . . . . 73.41 110.488 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -97.1 133.84 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.321 -0.622 . . . . 75.21 109.321 172.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -114.48 109.0 17.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.732 -0.47 . . . . 53.21 109.732 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -125.18 125.48 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.392 0.615 . . . . 75.4 110.832 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -104.91 177.01 4.97 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.027 -0.988 . . . . 44.33 108.414 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -114.45 135.54 53.99 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.811 -0.811 . . . . 73.04 108.811 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -114.56 99.51 7.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.525 0.678 . . . . 64.32 110.291 -175.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -96.19 9.79 39.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 74.2 108.933 172.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.03 -0.986 . . . . 71.23 108.913 168.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -73.82 154.28 39.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.104 -0.953 . . . . 72.33 109.169 172.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -77.4 80.56 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.129 0.49 . . . . 41.4 111.484 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.67 -134.99 14.81 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 115.503 -0.771 . . . . 63.52 113.074 175.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.25 166.09 29.37 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.24 2.627 . . . . 71.22 112.304 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 44.5 t -73.81 86.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 72.15 110.752 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -16.25 61.51 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.888 -0.596 . . . . 73.41 110.472 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.5 t -164.26 119.46 1.51 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.431 -0.804 . . . . 60.55 109.952 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 4.9 p-10 -62.48 -39.61 94.01 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.105 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -62.74 -42.41 99.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 72.41 110.199 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -68.59 -48.98 62.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.875 -0.602 . . . . 71.33 110.01 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.44 -49.27 55.44 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.271 0.558 . . . . 72.21 110.21 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.521 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -58.99 -54.91 41.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.333 -0.849 . . . . 72.35 111.238 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 26' ' ' THR . 12.4 t -56.64 -42.75 79.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 74.31 110.922 -175.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 64.6 t -60.69 -55.45 24.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.025 0.44 . . . . 62.4 110.406 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.7 -31.65 70.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.081 -0.509 . . . . 71.13 110.781 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -74.96 -33.89 61.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.491 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 22' ' ' SER . 29.7 p -75.21 -33.92 61.44 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.088 -0.245 . . . . 74.13 110.547 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 45.7 mt-10 -63.08 -48.73 77.37 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 110.122 -0.325 . . . . 75.14 110.122 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -164.9 177.21 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.63 0.772 . . . . 75.44 109.806 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -69.05 101.56 1.44 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 122.06 0.933 . . . . 70.41 109.919 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -163.6 115.1 1.41 Allowed 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 113.869 -1.514 . . . . 65.23 108.364 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.69 168.44 13.3 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.106 -0.569 . . . . 71.13 112.077 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.521 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.74 153.92 17.32 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.953 -0.641 . . . . 42.12 112.087 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -151.82 159.25 43.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.694 -0.484 . . . . 74.13 109.694 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 83.1 m -137.54 100.23 4.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.511 -0.922 . . . . 61.24 108.511 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 71.6 ttt180 -92.42 152.2 19.84 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.468 -0.787 . . . . 63.53 111.603 -168.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.02 66.45 2.16 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.317 -0.856 . . . . 55.12 112.099 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.0 t80 64.35 35.79 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.83 0.824 . . . . 71.21 109.474 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 15.1 mmt180 63.52 20.46 12.26 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.292 -0.867 . . . . 72.2 111.86 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -71.81 -48.51 45.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.449 0.537 . . . . 73.43 112.449 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.1 tpp180 -121.42 142.87 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 122.113 -0.367 . . . . 73.34 111.93 -171.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 t -78.99 128.65 33.54 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.752 -0.658 . . . . 74.34 111.273 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 45.6 m-85 -129.13 160.57 32.43 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.94 0.896 . . . . 64.02 109.066 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -115.46 134.44 55.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.958 -0.386 . . . . 45.24 109.958 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -114.65 132.65 56.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.628 0.251 . . . . 64.24 110.77 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -156.12 -179.96 8.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.746 -0.464 . . . . 64.42 109.746 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -106.9 109.56 21.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.561 -0.533 . . . . 74.2 109.561 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 118.444 -0.789 . . . . 63.22 109.954 179.577 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.832 0.349 . . . . 73.41 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.9 m -82.86 130.7 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 75.21 110.385 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.7 m -114.64 135.62 53.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.355 -0.609 . . . . 53.21 109.355 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -114.74 123.42 49.2 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.347 0.594 . . . . 75.4 111.188 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 p -105.61 176.02 5.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.33 -0.85 . . . . 44.33 109.255 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -114.72 154.4 28.55 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.712 -0.847 . . . . 73.04 108.712 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -114.68 99.7 7.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.5 0.667 . . . . 64.32 110.008 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -87.42 -5.4 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.082 -1.081 . . . . 74.2 108.082 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.62 -47.91 82.78 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.688 -1.142 . . . . 71.23 108.87 172.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -69.77 130.74 43.15 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.849 -1.069 . . . . 72.33 109.235 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -102.46 102.5 12.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.279 -0.419 . . . . 41.4 111.25 -172.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.97 -172.45 15.79 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.633 -0.712 . . . . 63.52 112.018 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.02 146.81 37.58 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 71.22 110.676 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.686 ' SG ' ' HB3' ' A' ' 39' ' ' ARG . 29.1 p -70.47 78.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.198 0.523 . . . . 72.15 110.35 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.65 66.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.703 -0.68 . . . . 73.41 111.125 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -126.36 114.84 18.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.208 -0.451 . . . . 60.55 110.186 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -58.0 -51.97 67.46 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.913 -0.585 . . . . 74.24 111.409 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -58.6 -42.35 87.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.841 0.353 . . . . 72.41 110.686 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' O ' HG21 ' A' ' 23' ' ' VAL . 25.5 t-20 -62.83 -58.82 6.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.639 -0.709 . . . . 71.33 110.635 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -52.37 -49.16 64.95 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.101 -0.499 . . . . 72.21 110.927 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.95 -55.42 30.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.43 -0.805 . . . . 72.35 110.486 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.8 t -57.65 -41.81 82.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.31 110.735 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 19' ' ' ASN . 54.9 t -56.12 -46.79 81.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.379 -0.373 . . . . 62.4 110.325 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 30' ' ' SER . 43.0 t -60.9 -46.79 89.23 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.175 -0.466 . . . . 71.13 110.566 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.35 -31.08 71.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.631 -0.258 . . . . 75.43 111.532 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.3 p -83.08 -27.41 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.578 0.228 . . . . 74.13 111.221 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -77.23 -39.67 47.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.498 -0.319 . . . . 75.14 110.63 -178.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.541 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 4.8 mmp_? -157.18 -171.86 3.79 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.092 0.472 . . . . 75.44 110.909 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.3 83.58 3.89 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.109 -0.7 . . . . 70.41 109.109 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 55.5 m -161.92 119.38 2.18 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.317 -1.31 . . . . 65.23 108.258 -175.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.17 138.43 47.71 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.742 -0.663 . . . . 71.13 111.636 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.18 11.57 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.933 -0.651 . . . . 42.12 112.901 -173.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.26 -179.38 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.561 0.744 . . . . 74.13 109.514 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 70.9 m -114.06 130.3 56.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 61.24 110.179 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HD3' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -139.27 131.23 27.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.831 -0.803 . . . . 63.53 108.831 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' N ' ' HD3' ' A' ' 35' ' ' ARG . . . 117.01 162.34 12.62 Favored Glycine 0 C--N 1.33 0.212 0 N-CA-C 111.875 -0.49 . . . . 55.12 111.875 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -68.57 -30.98 69.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.328 0.585 . . . . 71.21 110.358 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 12.8 tpt180 -89.7 5.84 44.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 72.2 110.74 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.686 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.9 mtp180 54.73 65.76 1.42 Allowed 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.348 0.594 . . . . 73.43 110.717 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -83.82 133.49 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.397 -0.82 . . . . 73.34 109.095 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.609 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 58.9 m -67.13 116.54 8.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 74.34 110.96 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -116.03 147.01 41.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 64.02 109.809 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.2 m -115.31 152.55 32.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.593 . . . . 45.24 110.581 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -135.04 128.16 31.77 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.614 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -136.63 -179.89 5.96 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.614 -0.721 . . . . 64.42 109.753 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -103.9 138.92 39.78 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.784 -0.189 . . . . 74.2 110.514 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.067 -0.492 . . . . 63.22 110.12 176.165 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 110.172 -0.307 . . . . 73.41 110.172 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.6 m -106.63 145.17 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.88 0.371 . . . . 75.21 110.189 176.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HB2' HG22 ' A' ' 45' ' ' THR . 35.2 m -114.76 114.02 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.252 -0.647 . . . . 53.21 109.252 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -114.71 127.84 55.98 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.158 0.504 . . . . 75.4 109.968 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 m -125.26 178.28 5.67 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.387 -0.968 . . . . 44.33 108.387 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -114.28 152.51 31.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.877 -0.786 . . . . 73.04 108.877 -176.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.512 ' OG ' ' SG ' ' A' ' 43' ' ' CYS . 2.1 m -113.75 99.55 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.262 0.553 . . . . 64.32 110.314 -172.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -93.5 3.04 56.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.429 -0.805 . . . . 74.2 109.672 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.21 -32.51 63.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.569 -0.742 . . . . 71.23 109.387 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -78.72 118.11 20.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.827 -0.805 . . . . 72.33 108.827 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -86.9 113.71 22.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.132 0.491 . . . . 41.4 110.617 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.55 175.38 37.11 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.273 -0.876 . . . . 63.52 112.136 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.32 164.46 35.57 Favored 'Trans proline' 0 C--O 1.239 0.546 0 C-N-CA 122.508 2.139 . . . . 71.22 111.764 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 95.3 m -60.69 93.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 72.15 111.829 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -29.48 69.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.77 -0.65 . . . . 73.41 109.382 169.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -148.35 123.67 10.27 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.212 -0.904 . . . . 60.55 110.134 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.68 -33.12 71.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.28 -0.418 . . . . 74.24 110.104 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.34 -52.18 59.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.664 -0.698 . . . . 72.41 110.086 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.54 -47.64 84.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.39 -0.823 . . . . 71.33 110.052 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -58.32 -50.3 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 72.21 110.795 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.534 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.59 -44.89 95.72 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.463 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -57.68 -39.58 77.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 74.31 109.947 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 t -63.15 -46.81 94.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.538 -0.755 . . . . 62.4 110.877 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.75 -42.17 71.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.91 0.386 . . . . 71.13 110.297 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 92.5 mt-30 -65.45 -43.01 91.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.824 -0.626 . . . . 75.43 111.199 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -68.23 -31.47 71.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 74.13 110.952 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.05 -66.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 75.14 110.264 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -155.21 -173.99 4.79 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.438 0.295 . . . . 75.44 110.383 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -72.1 85.41 1.02 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.729 0.776 . . . . 70.41 109.821 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.8 m -158.75 117.05 2.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.642 -1.163 . . . . 65.23 108.326 -174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.23 172.33 4.59 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.427 -0.669 . . . . 71.13 111.427 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -127.94 149.68 18.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.43 -0.89 . . . . 42.12 112.663 -177.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -156.39 148.84 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.624 -0.51 . . . . 74.13 109.624 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.83 110.93 20.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.992 -0.744 . . . . 61.24 108.992 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.625 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 5.2 ppt_? -132.54 133.0 43.19 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.504 0.669 . . . . 63.53 111.165 -173.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.99 155.0 9.3 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 110.521 -1.032 . . . . 55.12 110.521 -173.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -68.26 -24.03 64.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.203 0.525 . . . . 71.21 110.729 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -83.94 -0.53 51.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.634 . . . . 72.2 110.53 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.608 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 56.42 70.07 0.68 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.649 -0.501 . . . . 73.43 109.649 -172.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -93.88 133.31 37.43 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.011 -0.54 . . . . 73.34 110.702 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.583 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.5 m -72.94 124.7 25.96 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.58 -0.737 . . . . 74.34 112.239 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.625 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 88.5 m-85 -128.47 144.63 51.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.168 -0.924 . . . . 64.02 109.244 173.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.512 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 36.6 m -114.67 134.62 54.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.966 -0.753 . . . . 45.24 108.966 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -114.73 116.05 28.03 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.265 0.555 . . . . 64.24 111.681 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 3' ' ' CYS . 8.2 t -121.67 -179.84 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.763 -0.829 . . . . 64.42 108.763 174.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -117.57 16.49 14.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.646 0.26 . . . . 74.2 110.63 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.395 -0.821 . . . . 63.22 111.456 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.924 -0.399 . . . . 73.41 109.924 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.9 m -147.92 147.54 29.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 75.21 110.756 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -129.24 127.03 40.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.55 -0.537 . . . . 53.21 109.55 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.605 ' HB3' HG21 ' A' ' 44' ' ' THR . 8.8 pt-20 -128.79 126.36 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 75.4 110.269 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -123.83 -176.49 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.714 -0.675 . . . . 44.33 109.744 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 8.3 tt0 -114.62 133.59 55.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.781 0.324 . . . . 73.04 110.2 -174.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 t -114.79 120.33 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 64.32 110.413 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -102.7 10.17 38.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.326 -0.62 . . . . 74.2 109.326 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.2 -35.47 79.69 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.817 -0.629 . . . . 71.23 109.532 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.67 -178.98 1.61 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.102 -0.954 . . . . 72.33 109.337 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.28 36.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.195 0.443 . . . . 41.4 112.195 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.87 -111.32 3.66 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-O 119.77 -0.461 . . . . 63.52 112.12 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.63 100.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.64 2.227 . . . . 71.22 111.5 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.8 t -48.12 108.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 72.15 111.88 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.34 69.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.757 -0.656 . . . . 73.41 110.296 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -143.03 121.95 12.75 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.857 -0.61 . . . . 60.55 110.844 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.765 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 14.6 t70 -55.32 -44.14 75.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.357 -0.838 . . . . 74.24 110.363 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.81 -41.4 82.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.705 -0.68 . . . . 72.41 110.806 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.91 -45.39 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.533 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.62 -42.03 91.77 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.279 -0.637 . . . . 72.21 109.279 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.89 -52.09 66.54 Favored 'General case' 0 CA--C 1.523 -0.063 0 CA-C-N 115.426 -0.806 . . . . 72.35 110.876 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 26' ' ' THR . 26.8 t -55.4 -45.95 76.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 74.31 110.311 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -57.5 -58.36 6.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.985 -0.552 . . . . 62.4 110.73 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.92 -31.99 70.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.267 -0.424 . . . . 71.13 111.137 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -79.02 -32.97 45.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.466 -0.334 . . . . 75.43 111.391 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 22' ' ' SER . 24.9 p -69.19 -37.5 78.17 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.558 -0.534 . . . . 74.13 109.558 177.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -55.78 -67.35 0.3 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.152 -0.477 . . . . 75.14 111.01 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtm-85 -149.94 -176.84 5.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.696 -0.684 . . . . 75.44 110.404 -173.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.95 100.16 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.944 0.878 . . . . 70.41 109.296 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 p -172.85 115.25 0.28 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.654 -1.612 . . . . 65.23 109.837 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.04 146.47 43.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.104 -0.799 . . . . 71.13 111.104 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.29 141.77 17.18 Favored Glycine 0 CA--C 1.507 -0.451 0 C-N-CA 120.523 -0.846 . . . . 42.12 111.343 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -143.92 150.51 38.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.343 -0.614 . . . . 74.13 109.343 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.765 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.3 m -114.77 100.13 8.01 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.136 -0.69 . . . . 61.24 109.136 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -112.7 153.74 27.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.256 -0.884 . . . . 63.53 110.663 -169.677 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.46 148.53 8.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.34 -0.457 . . . . 55.12 112.05 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -58.35 -22.36 53.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.163 0.506 . . . . 71.21 110.799 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -76.51 0.96 18.03 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.738 -0.665 . . . . 72.2 111.137 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 61.18 42.44 12.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.013 0.435 . . . . 73.43 109.981 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 5.5 tpp85 -79.33 131.03 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 73.34 111.225 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.12 123.84 29.33 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.431 . . . . 74.34 111.474 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -122.87 146.6 47.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.713 -0.676 . . . . 64.02 110.458 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 35.8 m -114.88 132.28 56.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 45.24 109.712 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 4' ' ' GLU . 27.9 p -121.68 122.22 39.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 64.24 110.612 -173.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -137.28 176.58 8.58 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.81 -0.441 . . . . 64.42 109.81 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -101.2 124.38 46.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.598 0.237 . . . . 74.2 111.434 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.1 m . . . . . 0 C--O 1.248 0.994 0 N-CA-C 109.279 -0.637 . . . . 63.22 109.279 170.328 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 1' ' ' ARG . 12.0 mmt180 . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.057 -0.349 . . . . 73.41 110.057 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.6 m -109.26 146.93 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.968 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -114.76 148.74 37.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.94 -0.763 . . . . 53.21 108.94 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 169.76 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.835 0.35 . . . . 75.4 110.558 -177.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -159.04 170.83 21.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 44.33 109.334 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -117.83 130.75 56.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.83 0.348 . . . . 73.04 110.561 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.1 m -114.57 99.39 7.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.489 . . . . 64.32 111.918 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -103.26 14.89 30.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.035 -1.098 . . . . 74.2 108.035 166.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 1.3 mptp? -60.67 -27.65 68.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 114.619 -1.173 . . . . 71.23 109.111 175.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.9 102.8 11.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.395 -1.275 . . . . 72.33 109.236 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' H ' ' HD3' ' A' ' 11' ' ' LYS . 3.0 mppt? -72.44 124.1 24.47 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.485 -0.325 . . . . 41.4 110.558 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -171.47 21.62 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 115.892 -0.594 . . . . 63.52 112.087 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 138.6 66.58 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.574 2.183 . . . . 71.22 111.647 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.62 87.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.134 0.492 . . . . 72.15 110.238 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.16 25.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.459 -0.791 . . . . 73.41 111.965 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -146.41 141.17 26.9 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 120.999 0.428 . . . . 60.55 111.635 -174.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' CG ' HH21 ' A' ' 33' ' ' ARG . 4.8 m-20 -57.9 -41.64 83.02 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.418 -0.81 . . . . 74.24 109.675 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -51.47 -47.07 63.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.271 -0.877 . . . . 72.41 110.397 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.31 -50.88 27.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.194 -0.912 . . . . 71.33 110.636 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -60.83 -39.05 87.57 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.026 0.441 . . . . 72.21 110.079 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.82 78.44 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.883 -0.599 . . . . 72.35 110.591 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 26' ' ' THR . 35.7 t -55.47 -49.18 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 74.31 110.034 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.74 -49.31 85.06 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.547 -0.752 . . . . 62.4 110.716 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.24 -36.69 71.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.523 -0.762 . . . . 71.13 110.28 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.1 mt-30 -76.8 -29.13 55.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.792 -0.64 . . . . 75.43 111.294 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 22' ' ' SER . 40.0 p -71.24 -29.59 65.3 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.739 -0.467 . . . . 74.13 109.739 176.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HB3' ' HD3' ' A' ' 28' ' ' ARG . 8.4 mt-10 -68.02 -73.24 0.15 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.257 -0.577 . . . . 75.14 110.376 169.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -141.26 176.31 8.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.916 0.388 . . . . 75.44 110.215 179.014 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -66.8 110.76 3.41 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.159 0.504 . . . . 70.41 110.045 172.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.572 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 3.4 p -173.94 112.76 0.19 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.915 -1.039 . . . . 65.23 110.492 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 149.25 51.65 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.908 -0.587 . . . . 71.13 111.711 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.85 150.18 18.74 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 42.12 113.332 -172.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.42 HH21 ' CG ' ' A' ' 17' ' ' ASP . 4.5 tpm_? -151.6 149.59 29.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.004 -1.109 . . . . 74.13 108.004 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.809 ' SG ' ' HA ' ' A' ' 38' ' ' ARG . 39.7 t -114.18 113.37 24.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.919 0.39 . . . . 61.24 110.278 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -117.59 -168.41 1.49 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.646 -0.706 . . . . 63.53 110.346 -174.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.73 76.16 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 111.988 -0.445 . . . . 55.12 111.988 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.0 t80 56.19 57.91 4.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.498 0.666 . . . . 71.21 109.775 -172.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.809 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 81.5 mtt180 61.5 28.15 17.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.152 -0.931 . . . . 72.2 111.637 173.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -127.65 -7.95 5.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.001 -0.545 . . . . 73.43 111.345 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.504 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 43.0 ttt180 -138.67 99.07 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 73.34 110.101 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.7 131.8 34.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.498 -0.319 . . . . 74.34 110.363 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 74.8 m-85 -116.77 157.24 25.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.002 0.429 . . . . 64.02 110.474 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 86.5 m -124.83 157.36 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 45.24 110.326 176.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 p -132.93 124.08 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.896 -0.593 . . . . 64.24 109.885 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -126.89 162.55 25.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.25 -0.432 . . . . 64.42 110.51 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -97.82 114.64 26.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 74.2 109.653 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.108 -0.472 . . . . 63.22 109.847 177.057 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 110.17 -0.307 . . . . 73.41 110.17 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.1 m -144.56 124.91 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 75.21 110.264 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.8 m -114.73 108.3 16.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 53.21 110.358 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.631 ' HB3' HG23 ' A' ' 44' ' ' THR . 12.6 pt-20 -114.85 111.86 21.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.471 0.653 . . . . 75.4 110.539 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -94.35 -164.97 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.857 -1.065 . . . . 44.33 108.913 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.524 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 21.2 tm0? -113.85 159.28 20.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.226 -1.027 . . . . 73.04 108.226 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.536 ' OG ' ' SG ' ' A' ' 43' ' ' CYS . 1.4 m -113.38 99.64 7.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.392 0.615 . . . . 64.32 110.754 -169.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -88.61 -4.38 58.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.303 -0.862 . . . . 74.2 110.396 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.64 -21.47 23.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.855 -0.611 . . . . 71.23 111.649 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -78.47 151.86 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.66 -0.496 . . . . 72.33 109.66 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.41 92.41 5.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.997 0.903 . . . . 41.4 110.196 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.24 -148.47 34.38 Favored Glycine 0 C--N 1.307 -1.068 0 CA-C-N 113.906 -1.497 . . . . 63.52 112.34 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -80.92 -173.2 1.75 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.757 2.305 . . . . 71.22 111.548 176.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.9 m -68.84 84.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 72.15 111.247 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.6 -26.19 64.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.419 0.628 . . . . 73.41 109.937 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -151.97 111.4 3.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.314 -0.857 . . . . 60.55 108.936 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.527 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 2.6 m-20 -54.93 -47.78 73.98 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.352 0.407 . . . . 74.24 111.072 -173.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -59.97 -42.82 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 72.41 110.456 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.94 -49.41 72.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 71.33 109.953 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -57.8 -44.02 86.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.522 -0.763 . . . . 72.21 110.433 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -59.92 -49.32 78.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.64 177.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -58.95 -44.75 91.48 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.258 0.552 . . . . 74.31 110.37 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.89 -43.97 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.634 -0.712 . . . . 62.4 110.352 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 98.5 m -69.45 -22.16 63.67 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.393 -0.367 . . . . 71.13 111.184 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 76.7 mt-30 -73.04 -37.07 67.0 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.852 0.358 . . . . 75.43 110.326 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -77.86 -24.65 48.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.185 0.517 . . . . 74.13 111.223 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.6 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 35.2 mm-40 -85.71 -70.26 0.61 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.901 -0.591 . . . . 75.14 111.459 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.6 ' NH1' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.88 -179.09 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 75.44 111.253 -176.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -86.45 -51.23 6.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.737 -0.665 . . . . 70.41 112.407 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.506 ' H ' ' HA ' ' A' ' 45' ' ' THR . 16.3 m -86.88 -23.98 25.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.655 0.613 . . . . 65.23 112.655 -169.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.485 ' HA2' ' HG2' ' A' ' 25' ' ' GLN . . . 137.3 -138.57 9.82 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.24 -0.981 . . . . 71.13 112.846 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -144.62 -179.86 21.32 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.242 -0.504 . . . . 42.12 113.254 -174.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 6.2 tpp180 -158.38 147.67 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.905 0.482 . . . . 74.13 109.874 -175.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.7 m -126.67 119.73 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.701 -0.852 . . . . 61.24 108.701 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -170.0 160.36 8.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.032 0.444 . . . . 63.53 111.9 -168.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.67 -129.4 9.84 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.572 -0.74 . . . . 55.12 114.609 165.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 39.2 m-85 -56.06 102.89 0.08 Allowed 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.211 0.604 . . . . 71.21 111.758 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 57.25 29.02 16.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.847 -0.615 . . . . 72.2 111.18 175.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 66.31 64.77 0.51 Allowed 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.544 -0.91 . . . . 73.43 108.544 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 11.9 tpt180 -86.06 153.31 22.21 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.912 -1.04 . . . . 73.34 111.468 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.3 m -79.25 123.26 27.27 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.404 -0.816 . . . . 74.34 111.338 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.524 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 66.8 m-85 -122.76 148.25 45.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.144 -0.935 . . . . 64.02 108.861 175.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.536 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 79.8 m -117.11 143.28 45.97 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 45.24 109.763 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 4' ' ' GLU . 77.8 p -114.66 134.05 55.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.775 0.321 . . . . 64.24 110.262 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.506 ' HA ' ' H ' ' A' ' 30' ' ' SER . 6.8 t -139.56 170.8 15.25 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.067 -178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -91.36 136.63 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 74.2 110.748 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--O 1.247 0.923 0 N-CA-C 109.128 -0.693 . . . . 63.22 109.128 171.876 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.1 0.476 . . . . 73.41 110.525 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.2 m -126.62 124.31 39.61 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.803 -0.635 . . . . 75.21 109.77 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.541 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 78.8 m -114.66 154.66 28.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.267 -0.271 . . . . 53.21 110.267 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -114.87 157.91 22.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.906 0.384 . . . . 75.4 110.433 177.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -151.12 177.39 10.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.995 -0.548 . . . . 44.33 110.216 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' A' ' 40' ' ' ARG . 5.2 tp-100 -114.52 136.8 52.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.91 -0.404 . . . . 73.04 109.91 -177.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.6 t -126.56 114.54 18.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.108 0.48 . . . . 64.32 110.816 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -97.21 11.14 37.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.093 -0.706 . . . . 74.2 109.093 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -68.72 -40.35 79.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.02 -0.991 . . . . 71.23 109.988 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 14' ' ' CYS . 55.6 t80 -65.23 108.04 1.77 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.718 -0.845 . . . . 72.33 108.718 175.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -76.96 110.99 12.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.896 -0.593 . . . . 41.4 111.078 -171.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.55 162.46 30.27 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.231 -0.895 . . . . 63.52 111.798 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.63 139.12 79.45 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.329 2.019 . . . . 71.22 111.065 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 27.0 p -68.1 97.72 0.72 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.5 0.666 . . . . 72.15 110.671 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -29.88 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.34 -0.845 . . . . 73.41 110.895 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -144.74 127.46 16.22 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.975 -0.557 . . . . 60.55 110.623 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.74 -28.46 63.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 74.24 110.198 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -52.47 -57.78 8.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.862 -0.608 . . . . 72.41 110.26 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.59 -46.72 84.53 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.181 -0.918 . . . . 71.33 110.124 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.99 -46.8 78.59 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.466 -0.788 . . . . 72.21 110.548 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.29 84.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 72.35 111.181 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 t -58.21 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 74.31 110.573 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.53 -50.33 80.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.222 0.534 . . . . 62.4 110.168 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -56.57 -29.61 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 71.13 111.08 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.12 -48.39 24.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.462 0.172 . . . . 75.43 110.698 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.8 p -59.4 -29.16 67.54 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.906 -0.318 . . . . 74.13 110.464 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -80.75 -56.06 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.152 0.501 . . . . 75.14 110.409 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -126.27 92.79 3.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.582 -0.735 . . . . 75.44 110.215 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -61.61 88.1 0.02 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.085 0.469 . . . . 70.41 110.806 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -164.75 -89.46 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.365 -0.834 . . . . 65.23 110.374 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.5 150.85 23.14 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.356 -0.926 . . . . 71.13 112.688 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.61 148.01 19.36 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.438 -0.665 . . . . 42.12 111.438 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.623 ' HG3' ' H ' ' A' ' 34' ' ' CYS . 12.9 tpt180 -163.09 179.85 7.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.929 0.365 . . . . 74.13 110.204 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.623 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 69.9 m -114.15 116.0 28.4 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.403 -0.591 . . . . 61.24 109.403 177.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 3.7 tpm_? -114.68 115.51 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.26 0.552 . . . . 63.53 110.012 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.59 153.74 10.01 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.234 -0.894 . . . . 55.12 112.176 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.2 -30.86 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.605 0.362 . . . . 71.21 111.283 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -82.11 16.22 2.04 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.271 0.471 . . . . 72.2 112.271 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 61.41 29.38 18.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.579 0.228 . . . . 73.43 111.452 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' HG2' ' NE2' ' A' ' 6' ' ' GLN . 0.6 OUTLIER -75.45 124.8 27.78 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.496 -0.32 . . . . 73.34 110.329 -177.411 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 10.5 m -76.99 120.22 21.8 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.176 0.512 . . . . 74.34 112.053 -176.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 22.0 m-85 -114.59 146.54 40.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 64.02 109.238 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.1 m -114.83 140.86 48.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.197 -0.456 . . . . 45.24 111.047 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.5 p -114.73 114.82 26.13 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.94 -0.763 . . . . 64.24 108.94 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -129.34 160.63 32.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 64.42 110.223 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -71.22 127.32 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.268 -0.641 . . . . 74.2 109.268 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.541 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 12.3 m . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.674 -0.679 . . . . 63.22 110.776 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.754 -0.461 . . . . 73.41 109.754 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -104.18 116.2 31.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.973 0.416 . . . . 75.21 110.664 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.6 m -117.05 124.34 49.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.264 -0.643 . . . . 53.21 109.264 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' HB3' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -120.74 162.58 19.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.299 0.571 . . . . 75.4 111.075 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -147.83 -174.54 4.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 44.33 108.905 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -114.66 144.29 43.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.678 -0.489 . . . . 73.04 109.678 -176.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 p -114.6 102.56 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.379 0.609 . . . . 64.32 110.45 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -107.83 -4.6 17.88 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.434 -0.803 . . . . 74.2 110.714 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.33 -29.79 69.45 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.042 0.449 . . . . 71.23 110.451 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.93 136.36 57.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.758 . . . . 72.33 110.193 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.1 86.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 41.4 111.219 -174.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.21 -173.78 37.92 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.88 -0.6 . . . . 63.52 112.191 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.94 162.38 22.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.799 2.332 . . . . 71.22 111.986 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 14.2 t -57.2 92.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 72.15 111.54 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.45 95.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.336 0.589 . . . . 73.41 109.564 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 m -153.11 135.47 15.03 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.311 -0.858 . . . . 60.55 109.52 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 10.9 p-10 -55.77 -41.88 74.71 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.288 -0.414 . . . . 74.24 109.912 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -56.99 -39.05 73.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 72.41 109.822 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.436 HD21 ' N ' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -67.54 -55.51 13.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.637 -0.711 . . . . 71.33 110.299 -178.494 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.01 -40.79 94.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.154 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.71 -49.15 76.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.815 -0.63 . . . . 72.35 110.478 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.443 ' O ' HG21 ' A' ' 26' ' ' THR . 17.7 t -56.61 -48.13 78.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 74.31 110.128 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.21 -49.86 82.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 CA-C-N 116.008 -0.542 . . . . 62.4 110.582 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.8 t -59.35 -28.54 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 71.13 110.295 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 98.4 mt-30 -86.92 -21.26 26.39 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.238 -0.437 . . . . 75.43 111.535 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.443 HG21 ' O ' ' A' ' 22' ' ' SER . 41.0 p -78.09 -30.38 49.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.879 0.371 . . . . 74.13 110.074 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.93 -40.41 12.4 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.522 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 3.2 mmp_? -141.74 175.18 9.91 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.905 0.384 . . . . 75.44 111.075 -174.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.29 91.75 4.64 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.732 -0.84 . . . . 70.41 108.732 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.497 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 6.5 p -165.46 115.28 1.05 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.787 -1.097 . . . . 65.23 108.836 -175.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -58.76 144.94 43.66 Favored Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.653 -0.703 . . . . 71.13 111.791 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.71 133.07 10.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.803 -0.713 . . . . 42.12 112.226 -175.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.68 161.7 34.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.374 -0.973 . . . . 74.13 108.374 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 73.5 m -114.61 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.069 -0.394 . . . . 61.24 110.605 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -135.8 169.28 17.81 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.609 -0.723 . . . . 63.53 109.764 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.56 32.88 79.63 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.369 -0.444 . . . . 55.12 112.533 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 t80 52.29 79.53 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.785 0.434 . . . . 71.21 110.723 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 14' ' ' CYS . 8.0 mpt_? 67.86 -32.33 0.2 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.756 1.021 . . . . 72.2 113.756 -178.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 39' ' ' ARG . 19.5 tpt180 -64.63 -39.12 93.15 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.304 0.483 . . . . 73.43 112.304 -168.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -112.74 158.99 19.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.265 0.555 . . . . 73.34 111.771 -177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.7 t -139.01 139.53 37.89 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.628 -0.878 . . . . 74.34 108.628 171.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -132.31 146.05 51.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.307 . . . . 64.02 110.478 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 89.0 m -114.9 133.96 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 45.24 110.487 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 HG21 ' HB3' ' A' ' 4' ' ' GLU . 25.5 p -114.69 125.82 54.16 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.312 -0.404 . . . . 64.24 110.01 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.497 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 12.3 t -117.89 152.69 34.91 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.956 -0.565 . . . . 64.42 110.1 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -68.15 96.8 0.66 Allowed 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.967 -0.753 . . . . 74.2 108.967 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.689 -0.672 . . . . 63.22 110.21 -175.267 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.501 -0.185 . . . . 73.41 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.2 m -67.15 112.13 4.28 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.176 -0.675 . . . . 75.21 109.176 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 t -118.24 131.98 56.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.558 -0.746 . . . . 53.21 110.157 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.84 149.23 37.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 75.4 110.204 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -144.64 -177.34 5.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.816 . . . . 44.33 109.59 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -114.65 147.83 39.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.978 -0.379 . . . . 73.04 109.978 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -114.2 99.74 7.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.699 0.761 . . . . 64.32 109.886 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -95.83 3.8 53.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.986 -1.007 . . . . 73.11 109.009 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -83.89 -37.82 21.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.936 -1.029 . . . . 60.14 109.365 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.44 141.71 58.23 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.691 -0.686 . . . . 72.33 109.991 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -82.14 105.68 13.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 41.4 111.928 -173.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.48 -147.74 22.43 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.989 -0.551 . . . . 63.52 112.998 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.0 -179.03 4.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.013 2.475 . . . . 71.22 111.704 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.419 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.9 m -75.56 90.2 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.708 -0.224 . . . . 72.15 110.537 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.58 66.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.068 0.461 . . . . 73.41 109.83 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -159.95 140.12 11.69 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.469 -0.787 . . . . 60.55 109.839 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.44 -50.77 64.56 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.603 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.57 -32.13 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.883 -0.599 . . . . 72.41 110.662 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -71.74 -51.84 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 71.33 110.097 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.59 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.811 -0.44 . . . . 72.21 109.811 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' GLY . . . -63.73 -51.09 66.5 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.705 -0.68 . . . . 72.35 110.141 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 26' ' ' THR . 31.1 t -55.26 -50.07 70.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 74.31 109.868 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.14 -55.74 14.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 CA-C-O 121.244 0.545 . . . . 62.4 110.741 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.1 t -60.19 -25.58 65.68 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.39 -0.823 . . . . 71.13 110.735 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.98 -25.07 21.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.538 -0.301 . . . . 75.43 111.614 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' SER . 31.5 p -78.89 -30.99 45.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.675 0.274 . . . . 74.13 110.33 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.06 -43.08 12.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.796 -0.362 . . . . 75.14 111.371 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -143.47 179.95 6.79 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.618 0.247 . . . . 75.44 110.384 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.19 91.96 4.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.125 0.488 . . . . 70.41 110.188 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.0 p -165.64 114.78 1.01 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.558 -0.746 . . . . 61.34 109.353 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.86 126.1 17.1 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.555 -0.748 . . . . 71.13 112.129 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ALA . . . -114.3 145.02 18.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.491 -0.861 . . . . 42.12 113.386 -170.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -151.61 -179.6 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.827 0.851 . . . . 71.04 109.005 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 40' ' ' ARG . 30.7 t -114.5 142.98 45.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.829 0.347 . . . . 61.24 110.817 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.01 105.96 0.45 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.745 -0.835 . . . . 63.53 108.745 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -80.16 0.67 Allowed Glycine 0 C--N 1.318 -0.472 0 CA-C-N 115.52 -0.764 . . . . 55.12 111.49 -173.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 27.9 t80 176.91 137.02 0.06 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.182 -0.673 . . . . 71.21 109.182 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HD2' ' O ' ' A' ' 14' ' ' CYS . 13.0 mmm180 72.96 -27.4 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.05 0.759 . . . . 72.2 113.05 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 28.0 mmt180 -66.53 -69.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.684 0.624 . . . . 73.43 112.684 -168.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 13.9 tpp180 -158.44 139.63 13.23 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 121.105 -0.238 . . . . 72.23 110.468 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.16 126.26 39.28 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.444 0.64 . . . . 74.34 112.272 -171.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -117.77 145.28 44.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.93 . . . . 62.53 109.723 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.66 140.38 48.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.67 0.271 . . . . 45.24 110.284 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -115.7 137.18 52.34 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.177 -0.465 . . . . 64.04 110.514 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -158.38 -179.58 8.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 63.21 109.291 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -101.23 100.2 10.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.073 0.464 . . . . 74.2 110.929 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.713 -0.676 . . . . 63.22 109.245 175.124 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.376 -0.231 . . . . 73.41 110.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.2 m -93.17 125.83 37.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.802 -0.444 . . . . 75.21 109.802 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 53.3 t -114.83 99.95 7.86 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.987 -0.746 . . . . 53.21 108.987 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 12.9 pt-20 -116.79 140.36 49.53 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 75.4 112.022 -175.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -117.24 -169.89 1.74 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.73 -1.123 . . . . 44.33 108.814 174.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -115.23 163.43 15.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.608 -0.515 . . . . 73.04 109.608 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 t -114.12 141.06 47.96 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.284 -0.635 . . . . 64.32 109.284 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -138.4 5.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 73.11 110.911 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -94.14 -33.46 13.32 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.738 -0.468 . . . . 60.14 109.738 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.07 137.44 57.98 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.847 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.94 124.68 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.838 -0.619 . . . . 41.4 110.614 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.94 139.8 9.49 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.287 -0.482 . . . . 63.52 112.549 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.38 86.34 0.82 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.323 2.015 . . . . 71.22 111.663 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.6 m 65.49 35.89 7.0 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.642 -0.708 . . . . 72.15 110.987 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.93 -42.89 63.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.933 -0.576 . . . . 73.41 111.215 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -148.04 125.43 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.846 -0.798 . . . . 60.55 108.846 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -64.42 -43.19 95.13 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.222 0.453 . . . . 74.24 112.222 -172.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -63.88 -49.69 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.442 0.639 . . . . 72.41 109.57 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.55 -46.1 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.963 -1.017 . . . . 71.33 109.947 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 t -53.31 -48.66 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.065 -0.971 . . . . 72.21 110.465 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.97 83.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.726 -0.67 . . . . 72.35 111.068 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 t -59.96 -53.82 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.608 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.55 -39.4 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 116.071 -0.513 . . . . 62.4 110.964 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 45.1 t -65.49 -38.99 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 71.13 110.365 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -70.76 -31.02 67.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.635 -0.257 . . . . 75.43 110.861 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -72.66 -35.7 67.78 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.919 -0.312 . . . . 74.13 110.646 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 8.8 pt-20 -74.79 -50.09 18.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.209 -0.597 . . . . 75.14 110.476 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 28.4 mmm180 -140.29 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.642 0.377 . . . . 75.44 110.07 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -63.79 92.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.47 0.652 . . . . 70.41 110.293 176.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.488 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 13.6 p -167.89 117.04 0.78 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.678 -1.146 . . . . 61.34 108.871 -177.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 138.5 49.12 Favored Glycine 0 C--O 1.221 -0.685 0 N-CA-C 111.238 -0.745 . . . . 71.13 111.238 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.1 128.83 8.43 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 119.659 -1.257 . . . . 42.12 113.496 -166.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -134.51 172.56 12.75 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.899 -0.778 . . . . 71.04 108.899 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -115.44 138.07 51.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.004 -0.369 . . . . 61.24 110.004 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.98 128.58 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.628 -0.879 . . . . 63.53 108.628 171.391 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.83 -72.55 0.52 Allowed Glycine 0 CA--C 1.518 0.266 0 O-C-N 123.34 0.4 . . . . 55.12 114.015 -173.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -71.81 -30.06 65.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.998 0.428 . . . . 71.21 110.69 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . 8.3 tpt180 -69.92 -28.25 65.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 72.2 109.899 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 47.84 63.69 1.92 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.483 -0.78 . . . . 73.43 110.927 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -159.11 147.3 17.9 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.65 -0.705 . . . . 72.23 110.139 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 m -73.83 113.8 11.4 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.394 -0.821 . . . . 74.34 111.943 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -119.54 138.11 53.39 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.495 -0.928 . . . . 62.53 108.495 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 61.8 m -122.13 149.4 43.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.251 -0.431 . . . . 45.24 110.991 -171.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 4' ' ' GLU . 40.3 p -114.47 143.7 44.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.17 0.51 . . . . 64.04 110.49 -175.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 13.6 t -142.37 -179.81 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.379 -0.828 . . . . 63.21 109.804 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -99.93 100.35 11.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.061 -0.518 . . . . 74.2 110.351 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 3' ' ' CYS . 81.2 m . . . . . 0 C--O 1.248 1.013 0 N-CA-C 109.299 -0.63 . . . . 63.22 109.299 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.558 0.218 . . . . 73.41 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.3 m -73.63 124.14 25.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.77 -0.456 . . . . 75.21 109.77 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -114.95 149.4 37.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.951 -0.568 . . . . 53.21 109.685 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.73 150.47 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.978 0.418 . . . . 75.4 110.055 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -152.7 -170.32 3.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 44.33 109.189 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 57.5 tt0 -135.37 157.43 46.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.76 -0.459 . . . . 73.04 109.76 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.4 t -114.52 119.44 36.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.464 0.65 . . . . 64.32 109.839 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -110.7 -3.3 15.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 73.11 109.653 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.39 -26.49 51.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.296 -0.865 . . . . 60.14 110.026 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -69.35 159.53 32.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.51 -0.768 . . . . 72.33 110.531 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -94.02 108.35 20.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.279 -0.418 . . . . 41.4 110.946 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.98 -157.6 48.79 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.382 -0.437 . . . . 63.52 112.518 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.44 -177.45 3.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.963 2.442 . . . . 71.22 111.843 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.28 88.76 0.08 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.051 -0.522 . . . . 72.15 110.751 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.86 -34.49 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.611 -0.722 . . . . 73.41 110.56 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 m -144.32 129.49 18.67 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.005 -0.543 . . . . 60.55 110.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.76 -57.73 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 74.24 110.997 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -57.0 -46.1 82.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.802 -0.636 . . . . 72.41 110.51 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.89 -52.96 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 71.33 110.502 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -45.8 90.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.148 0.499 . . . . 72.21 110.24 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.49 -45.34 94.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.471 -0.786 . . . . 72.35 110.662 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -61.87 -46.42 89.51 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.081 0.467 . . . . 74.31 110.319 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -57.85 -49.25 81.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 115.968 -0.56 . . . . 62.4 110.643 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 48.8 t -62.2 -43.64 98.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.301 -0.409 . . . . 71.13 110.631 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 99.6 mt-30 -65.12 -33.7 76.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.586 -0.279 . . . . 75.43 111.181 -178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -74.4 -41.93 60.09 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.548 -0.296 . . . . 74.13 110.863 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.58 -35.86 75.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.462 -0.495 . . . . 75.14 110.478 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.451 HH22 HG21 ' A' ' 45' ' ' THR . 73.0 ttp85 -172.71 122.27 0.42 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.533 0.333 . . . . 75.44 110.122 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -44.08 101.8 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.481 0.657 . . . . 70.41 112.19 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.8 m -158.74 117.12 2.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.638 -1.245 . . . . 61.34 107.638 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -48.8 147.57 5.33 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.818 -0.628 . . . . 71.13 112.148 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.53 118.32 4.34 Favored Glycine 0 C--O 1.235 0.193 0 C-N-CA 120.703 -0.761 . . . . 42.12 112.303 -172.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -124.54 154.98 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.11 -0.7 . . . . 71.04 109.11 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -114.98 107.97 16.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.005 0.431 . . . . 61.24 110.362 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -136.87 145.45 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.333 -0.618 . . . . 63.53 109.333 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.87 166.59 12.09 Favored Glycine 0 C--O 1.234 0.106 0 C-N-CA 121.245 -0.502 . . . . 55.12 111.987 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -54.42 -40.68 68.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.831 0.348 . . . . 71.21 111.325 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -109.73 21.74 16.55 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.362 -0.381 . . . . 72.2 110.194 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 56.78 78.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 73.43 110.547 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -82.53 156.99 23.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.0 -0.37 . . . . 72.23 110.0 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.5 109.9 18.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.953 -0.567 . . . . 74.34 109.955 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 68.3 m-85 -114.72 139.06 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.49 -0.559 . . . . 62.53 109.49 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 74.4 m -114.72 142.85 45.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.251 -0.431 . . . . 45.24 111.365 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -114.81 117.8 31.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.704 -0.68 . . . . 64.04 109.938 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.451 HG21 HH22 ' A' ' 28' ' ' ARG . 14.1 t -124.51 -179.8 4.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.143 -0.935 . . . . 63.21 109.323 -176.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -125.77 114.94 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.852 0.358 . . . . 74.2 110.912 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.255 -0.878 . . . . 63.22 109.77 178.382 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.494 ' NE ' ' HA ' ' A' ' 1' ' ' ARG . 4.6 mmp_? . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.734 0.302 . . . . 73.41 110.955 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.0 m -93.34 158.67 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.923 -0.769 . . . . 75.21 108.923 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.59 100.16 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.79 -0.818 . . . . 53.21 108.79 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.21 152.79 38.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.546 . . . . 75.4 110.73 -173.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -157.51 -169.85 3.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 44.33 109.849 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 45.9 tt0 -122.12 144.44 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.571 0.348 . . . . 73.04 110.21 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.0 p -114.68 135.19 54.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.945 0.402 . . . . 64.32 110.567 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -126.87 6.45 6.65 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.316 -0.402 . . . . 73.11 110.574 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.71 -33.31 74.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.077 -0.712 . . . . 60.14 109.077 174.072 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.98 143.64 51.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 114.838 -1.074 . . . . 72.33 110.588 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 38.3 ttmt -84.33 115.16 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 41.4 111.221 -174.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.1 -157.48 49.01 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.294 -0.866 . . . . 63.52 113.59 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.09 165.39 32.1 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.774 2.316 . . . . 71.22 111.854 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.5 85.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 72.15 111.671 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.14 64.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.219 0.533 . . . . 73.41 109.858 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -140.77 117.24 10.8 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.577 -0.738 . . . . 60.55 109.999 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.26 -35.67 76.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.43 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -66.23 -42.61 88.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.076 0.465 . . . . 72.41 109.94 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -66.21 -45.64 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 71.33 109.759 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.7 t -55.81 -42.6 75.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.589 -0.732 . . . . 72.21 110.252 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.74 -53.27 59.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.742 -0.663 . . . . 72.35 110.885 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -56.25 -47.43 78.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 74.31 110.626 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 55.0 t -57.72 -51.5 69.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 115.871 -0.604 . . . . 62.4 110.725 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 29' ' ' PHE . 44.3 t -59.41 -35.58 74.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.895 -0.593 . . . . 71.13 111.052 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 79.7 mt-30 -72.69 -32.53 65.85 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.213 -0.448 . . . . 75.43 111.005 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.1 p -73.92 -29.64 62.15 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.112 -0.329 . . . . 74.13 110.112 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 31.2 mt-10 -64.49 -78.13 0.05 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.293 -0.412 . . . . 75.14 110.75 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -153.86 -41.12 0.09 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.52 -0.309 . . . . 75.44 111.681 -175.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.739 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 51.6 m-85 -75.13 152.24 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 70.41 111.33 -168.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -84.64 -22.79 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 61.34 110.784 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.74 149.01 19.61 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.69 -0.564 . . . . 71.13 111.69 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.41 138.38 5.94 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.254 -0.738 . . . . 42.12 111.254 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.582 ' HG2' ' H ' ' A' ' 34' ' ' CYS . 48.5 ttp85 -165.25 -179.06 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.429 -0.582 . . . . 71.04 109.429 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.582 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 13.9 m -114.05 136.8 52.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.14 0.495 . . . . 61.24 110.27 -169.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.91 112.44 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.461 -0.79 . . . . 63.53 111.997 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.87 -114.11 0.28 Allowed Glycine 0 N--CA 1.463 0.45 0 CA-C-N 114.695 -1.139 . . . . 55.12 114.321 174.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.64 -2.13 28.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 71.21 110.851 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -66.35 -27.8 68.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.14 -0.482 . . . . 72.2 110.405 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 64.2 20.62 12.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.833 -0.622 . . . . 73.43 111.073 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -98.52 134.48 41.42 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.938 -0.574 . . . . 72.23 109.68 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -76.22 118.99 19.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.299 0.481 . . . . 74.34 112.299 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 67.1 m-85 -117.0 158.75 23.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.453 -0.794 . . . . 62.53 108.871 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -130.16 146.32 51.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.386 -0.37 . . . . 45.24 111.474 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.2 p -120.67 139.8 52.52 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.512 -0.767 . . . . 64.04 110.665 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.8 t -158.65 -179.69 8.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.713 -0.676 . . . . 63.21 109.249 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -115.54 129.96 56.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.748 0.308 . . . . 74.2 110.294 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.687 -0.486 . . . . 63.22 109.687 -179.267 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.572 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 1.5 mmp_? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.23 0.538 . . . . 73.41 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 m -140.4 145.03 36.53 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.562 -0.744 . . . . 75.21 109.857 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -114.94 142.03 47.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 53.21 110.062 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.3 OUTLIER -128.19 150.01 50.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 75.4 110.447 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -142.18 -177.01 5.03 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.309 -0.626 . . . . 44.33 109.309 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.677 ' NE2' ' HD2' ' A' ' 40' ' ' ARG . 51.4 tt0 -114.23 146.77 39.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.457 -0.571 . . . . 73.04 109.457 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.2 m -114.17 99.69 7.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.327 0.584 . . . . 64.32 110.103 -172.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -113.3 20.46 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.331 -0.85 . . . . 73.11 110.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -84.62 -28.08 26.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.364 -0.835 . . . . 60.14 109.149 172.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -68.13 142.94 55.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.989 -1.005 . . . . 72.33 109.795 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -76.82 111.23 12.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 41.4 110.775 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.45 174.02 29.78 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.045 -0.525 . . . . 63.52 112.512 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.71 43.0 1.27 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.227 2.618 . . . . 71.22 112.436 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t 64.0 108.34 0.03 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.265 0.555 . . . . 72.15 110.678 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . . . -93.48 -55.34 3.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 73.41 110.426 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -120.24 123.9 44.35 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.957 -0.565 . . . . 60.55 110.952 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 14.6 t70 -47.64 -58.87 3.75 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.211 -0.904 . . . . 74.24 111.168 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -55.14 -41.18 71.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.8 -0.636 . . . . 72.41 111.504 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -68.43 -46.83 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 71.33 111.068 -174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.74 -40.8 97.61 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.482 -0.562 . . . . 72.21 109.482 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.28 -49.16 78.71 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.31 -0.859 . . . . 72.35 110.674 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.1 t -61.92 -41.79 98.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.282 -177.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -56.73 -52.2 57.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.195 0.522 . . . . 62.4 110.235 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.84 -33.95 69.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.514 -0.766 . . . . 71.13 110.349 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -77.14 -30.63 55.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.798 -0.637 . . . . 75.43 111.521 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.7 p -77.16 -33.95 56.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.551 0.215 . . . . 74.13 110.947 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 10.7 pt-20 -77.33 -50.11 13.51 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.659 -0.416 . . . . 75.14 110.813 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 10.5 mtp180 -142.81 -174.17 4.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.952 0.406 . . . . 75.44 110.671 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.78 99.42 9.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.459 0.647 . . . . 70.41 109.94 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 43' ' ' CYS . 12.0 t -162.92 112.94 1.4 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.912 -1.04 . . . . 61.34 108.515 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.09 123.34 32.29 Favored Glycine 0 C--O 1.23 -0.142 0 CA-C-N 115.986 -0.552 . . . . 71.13 112.016 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.57 149.65 18.77 Favored Glycine 0 C--O 1.234 0.148 0 C-N-CA 120.831 -0.699 . . . . 42.12 112.955 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -145.06 169.0 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.154 0.581 . . . . 71.04 110.011 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 7.0 t -114.61 100.32 8.19 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.601 -0.518 . . . . 61.24 109.601 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -153.36 157.7 40.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.574 -0.739 . . . . 63.53 109.392 -173.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.33 -150.31 19.88 Favored Glycine 0 N--CA 1.452 -0.261 0 N-CA-C 111.647 -0.581 . . . . 55.12 111.647 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -63.72 -58.36 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.412 -0.588 . . . . 71.21 109.412 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -118.52 -60.72 1.75 Allowed 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.32 -0.855 . . . . 72.2 109.581 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' NH2' ' HA ' ' A' ' 15' ' ' ALA . 57.8 mtp180 -151.89 110.56 3.81 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.683 -0.69 . . . . 73.43 110.641 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.677 ' HD2' ' NE2' ' A' ' 6' ' ' GLN . 27.2 mtm180 -142.28 174.88 10.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.552 -0.749 . . . . 72.23 109.443 173.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.3 t -128.5 132.98 48.35 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.504 -0.554 . . . . 74.34 109.504 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.37 141.37 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.631 -0.259 . . . . 62.53 110.73 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.405 ' HB3' ' OG ' ' A' ' 30' ' ' SER . 77.8 m -115.79 150.01 37.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.22 -0.445 . . . . 45.24 110.282 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.435 HG22 ' HB3' ' A' ' 4' ' ' GLU . 31.5 p -132.55 130.08 39.88 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 116.301 -0.409 . . . . 64.04 111.327 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.7 t -142.48 165.06 28.44 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.804 -0.635 . . . . 63.21 109.479 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.48 139.35 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 74.2 111.527 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.165 -0.922 . . . . 63.22 109.434 173.117 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.812 0.339 . . . . 73.41 110.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.9 m -79.03 132.32 36.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.182 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -117.44 158.45 24.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.938 -0.393 . . . . 53.21 109.938 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.17 162.72 24.03 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.168 0.509 . . . . 75.4 110.807 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -143.89 175.74 9.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.325 -0.852 . . . . 44.33 109.061 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -114.57 145.3 42.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.709 -0.478 . . . . 73.04 109.709 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -114.66 107.91 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.178 0.513 . . . . 64.32 110.324 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -112.7 11.83 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.41 -0.814 . . . . 73.11 109.317 171.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -76.55 -42.8 41.64 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.197 -1.038 . . . . 60.14 108.197 172.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.5 130.93 48.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.514 -0.766 . . . . 72.33 109.648 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 8.7 mtpm? -121.29 140.6 51.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 41.4 110.589 -175.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.91 -158.69 14.16 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 116.128 -0.487 . . . . 63.52 112.361 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.73 115.4 3.84 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.752 2.302 . . . . 71.22 111.56 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 41' ' ' CYS . 16.0 t -80.23 68.67 6.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.407 0.623 . . . . 72.15 109.779 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.68 -40.51 5.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.378 -0.828 . . . . 73.41 109.517 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -79.7 81.55 5.94 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-O 121.556 0.693 . . . . 60.55 110.257 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -58.13 -35.69 71.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.323 -0.853 . . . . 74.24 110.565 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.4 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.464 -0.569 . . . . 72.41 109.464 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.82 -51.14 61.47 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 71.33 109.662 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -61.57 -37.81 85.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.039 -0.528 . . . . 72.21 110.161 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.31 -48.48 79.65 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.884 -0.598 . . . . 72.35 110.534 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -55.38 -50.84 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.052 -0.522 . . . . 74.31 109.685 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.03 -53.58 26.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 115.441 -0.8 . . . . 62.4 110.837 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.36 -35.51 74.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.866 -0.606 . . . . 71.13 110.548 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 77.7 mt-30 -77.32 -30.08 53.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.128 -0.487 . . . . 75.43 111.454 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -76.48 -29.18 56.76 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.89 0.376 . . . . 74.13 110.118 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.31 -61.25 2.0 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.027 -0.533 . . . . 75.14 111.577 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -129.85 178.9 6.18 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.151 0.501 . . . . 75.44 111.467 -174.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -93.1 88.63 6.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.635 0.731 . . . . 70.41 109.449 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 13.1 p -165.3 116.68 1.12 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.42 -1.264 . . . . 61.34 108.829 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 151.22 37.96 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.593 -0.731 . . . . 71.13 111.57 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.85 145.75 18.7 Favored Glycine 0 C--O 1.236 0.219 0 C-N-CA 120.648 -0.787 . . . . 42.12 112.989 -173.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -161.89 143.27 11.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.553 -0.536 . . . . 71.04 109.553 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 41' ' ' CYS . 40.8 t -114.61 122.89 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.429 -0.582 . . . . 61.24 109.429 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 18.4 tpt180 -82.13 127.14 32.84 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.012 0.434 . . . . 63.53 110.263 -174.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.23 65.73 4.02 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.69 -0.686 . . . . 55.12 114.406 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -92.6 -87.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.291 -1.003 . . . . 71.21 108.291 167.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -111.14 -56.33 2.38 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 108.601 -0.888 . . . . 72.2 108.601 167.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -177.59 110.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.611 -0.722 . . . . 73.43 109.937 172.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -159.3 120.71 3.31 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.582 -0.525 . . . . 72.23 109.582 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 21.8 t -91.92 152.21 20.16 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.866 -0.607 . . . . 74.34 110.591 -176.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -140.97 151.25 44.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.585 -0.734 . . . . 62.53 109.773 -177.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 92.8 m -124.76 137.18 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.041 -0.355 . . . . 45.24 110.041 178.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.82 140.82 48.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.848 0.356 . . . . 64.04 110.472 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -147.41 -179.98 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 63.21 110.212 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -112.12 118.26 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.282 0.233 . . . . 74.2 110.894 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.9 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.7 -0.666 . . . . 63.22 110.141 176.466 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.581 ' HG2' ' HB2' ' A' ' 47' ' ' CYS . 45.2 ttp180 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.224 0.535 . . . . 73.41 109.733 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.0 m -117.32 135.51 53.79 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.765 -0.652 . . . . 75.21 110.31 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 96.2 m -114.68 136.52 52.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.363 -0.38 . . . . 53.21 110.202 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.469 ' HB3' HG22 ' A' ' 44' ' ' THR . 13.5 pt-20 -114.91 108.87 17.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.744 0.783 . . . . 75.4 110.426 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -101.3 -169.47 1.7 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.954 -1.021 . . . . 44.33 109.547 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 59.8 tt0 -114.6 160.34 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.428 -0.582 . . . . 73.04 109.428 -178.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 m -114.19 124.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.965 0.412 . . . . 64.32 110.614 -174.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -127.67 3.24 6.11 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.871 -0.604 . . . . 73.11 110.844 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -85.67 -11.96 52.48 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 108.981 -0.748 . . . . 60.14 108.981 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.93 149.47 29.39 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 114.962 -1.017 . . . . 72.33 110.153 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -107.12 128.66 54.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 41.4 111.142 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.57 -170.37 54.15 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.905 -0.588 . . . . 63.52 113.124 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.34 176.77 9.2 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.757 2.305 . . . . 71.22 111.307 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.4 t -72.32 86.65 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 72.15 110.138 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.77 -29.82 70.38 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.821 -0.627 . . . . 73.41 110.321 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -173.09 136.53 0.65 Allowed 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.532 -0.758 . . . . 60.55 109.96 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -55.03 -37.34 66.54 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.979 -0.555 . . . . 74.24 109.872 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -67.74 -35.32 78.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.69 -0.686 . . . . 72.41 110.144 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -66.98 -44.04 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.152 -0.685 . . . . 71.33 109.152 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.88 -41.57 78.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.537 -0.756 . . . . 72.21 110.036 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.88 -57.54 12.59 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.963 -0.562 . . . . 72.35 110.671 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' THR . 23.2 t -54.16 -47.22 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 74.31 110.633 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.11 -51.73 69.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 116.106 -0.497 . . . . 62.4 110.79 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 13.3 t -64.17 -31.78 73.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.08 0.467 . . . . 71.13 110.627 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.25 -33.85 67.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.036 -0.529 . . . . 75.43 110.61 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' SER . 72.7 p -78.3 -22.66 47.84 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.939 -0.304 . . . . 74.13 110.644 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.61 -53.09 62.08 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.24 -0.281 . . . . 75.14 110.24 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HB3' ' H ' ' A' ' 29' ' ' PHE . 22.3 ttm180 -168.59 -91.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.59 -0.277 . . . . 75.44 110.678 174.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' H ' ' HB3' ' A' ' 28' ' ' ARG . 76.3 m-85 -147.78 86.51 1.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.317 -0.623 . . . . 70.41 109.317 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.668 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 31.2 m -159.92 116.66 2.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.747 -0.834 . . . . 61.34 108.747 -174.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.46 139.33 48.2 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 111.257 -0.737 . . . . 71.13 111.257 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.88 130.82 9.41 Favored Glycine 0 C--O 1.235 0.188 0 C-N-CA 120.541 -0.838 . . . . 42.12 112.307 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -144.07 179.64 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.491 -0.559 . . . . 71.04 109.491 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.1 m -130.32 134.04 46.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.957 -0.757 . . . . 61.24 108.957 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -116.78 14.85 15.34 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.296 0.569 . . . . 63.53 110.949 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -126.08 152.97 18.33 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 109.977 -1.249 . . . . 55.12 109.977 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -63.68 93.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.38 0.59 . . . . 71.21 110.429 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 64.86 23.05 12.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.484 -0.78 . . . . 72.2 109.99 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -149.2 163.95 36.16 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.442 -0.799 . . . . 73.43 110.149 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.506 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 24.9 ttt180 58.02 93.76 0.03 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.593 0.711 . . . . 72.23 112.26 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.72 137.28 32.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.108 -0.951 . . . . 74.34 110.423 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.506 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 45.6 m-85 -125.99 152.45 45.7 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.957 0.503 . . . . 62.53 110.407 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -121.47 138.96 54.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.516 . . . . 45.24 110.398 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.469 HG22 ' HB3' ' A' ' 4' ' ' GLU . 31.6 p -114.65 126.43 54.88 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.988 -0.551 . . . . 64.04 109.951 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -148.07 172.26 14.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.196 -0.456 . . . . 63.21 110.903 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -74.99 134.39 41.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 74.2 110.4 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB2' ' HG2' ' A' ' 1' ' ' ARG . 23.4 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.292 -0.861 . . . . 63.22 110.253 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 1' ' ' ARG . 11.4 ptp180 . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.728 0.299 . . . . 73.41 110.725 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.0 m -104.73 115.41 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.339 -0.615 . . . . 75.21 109.339 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.9 135.8 53.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.573 -0.285 . . . . 53.21 110.923 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 10.6 pt-20 -114.83 109.7 18.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.62 0.724 . . . . 75.4 110.362 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -96.71 -168.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.988 . . . . 44.33 109.537 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -114.44 148.81 37.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.785 -0.45 . . . . 73.04 109.785 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.9 t -114.34 119.68 37.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.55 0.69 . . . . 64.32 110.451 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -107.34 19.65 20.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 73.11 109.436 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 28.1 tptp -111.89 -15.2 13.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.622 -0.717 . . . . 60.14 110.288 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.39 165.99 21.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.759 -0.655 . . . . 72.33 110.569 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -86.27 104.47 15.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.123 -0.489 . . . . 41.4 111.368 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.85 -148.38 39.75 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.974 -0.557 . . . . 63.52 113.173 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 12.8 Cg_exo -69.97 -69.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.692 2.261 . . . . 71.22 111.861 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 9.2 t -153.51 172.07 17.73 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.441 -1.254 . . . . 72.15 110.261 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.604 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -151.97 -40.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.95 -0.759 . . . . 73.41 108.95 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -177.07 145.15 0.46 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.04 -0.982 . . . . 60.55 109.076 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -57.99 -35.12 70.77 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.017 -0.734 . . . . 74.24 109.017 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -58.87 -50.69 73.07 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 114.933 -1.03 . . . . 72.41 110.339 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.23 -48.75 76.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.35 -0.841 . . . . 71.33 110.396 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.2 m -58.04 -39.31 78.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 72.21 110.917 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -57.72 11.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 72.35 110.328 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.1 t -51.84 -56.24 15.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.64 -0.709 . . . . 74.31 111.047 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 90.5 t -58.41 -53.97 39.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 62.4 110.98 -177.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -60.95 -36.58 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.607 -0.269 . . . . 71.13 110.511 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -70.94 -34.19 71.24 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.713 0.292 . . . . 75.43 110.974 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -74.6 -27.85 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.481 . . . . 74.13 110.472 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 76.6 mm-40 -79.24 -38.71 34.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.312 177.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -167.06 159.26 12.97 Favored 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 109.921 -0.4 . . . . 75.44 109.921 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.96 84.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 70.41 110.046 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -163.44 117.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.132 -0.94 . . . . 61.34 108.634 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.25 177.99 6.71 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.779 -0.528 . . . . 71.13 111.779 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.07 163.53 25.07 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.543 -0.837 . . . . 42.12 113.174 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -165.18 170.85 14.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.196 0.599 . . . . 71.04 109.732 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.99 120.36 39.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.582 -0.896 . . . . 61.24 108.582 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 23.7 tpt180 -136.8 159.08 42.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.372 -0.377 . . . . 63.53 110.436 -170.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 162.03 36.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.191 -0.528 . . . . 55.12 112.659 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -65.37 -29.7 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 71.21 110.415 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -76.7 -11.83 59.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.451 -0.795 . . . . 72.2 110.696 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? 57.41 63.22 1.92 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.619 -0.511 . . . . 73.43 109.619 -171.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -99.5 160.97 13.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.135 -0.32 . . . . 72.23 110.135 -178.364 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.1 t -82.47 114.85 21.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.082 -0.508 . . . . 74.34 111.111 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 28.1 m-85 -114.82 154.91 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.727 -0.67 . . . . 62.53 109.813 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 67.1 m -114.9 142.66 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 45.24 110.698 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.9 p -114.73 116.24 28.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 64.04 110.417 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -131.27 -179.93 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 63.21 110.205 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -102.51 128.89 48.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.939 0.4 . . . . 74.2 111.228 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.7 -0.666 . . . . 63.22 109.364 172.415 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.992 0.425 . . . . 73.41 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 m -108.41 130.6 55.23 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.651 -0.704 . . . . 75.21 110.126 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.85 154.38 28.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 53.21 109.732 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 11.0 tt0 -114.73 152.82 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.863 -0.421 . . . . 75.4 109.863 -175.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -143.14 171.54 13.94 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.602 -0.888 . . . . 44.33 108.602 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -114.78 137.35 52.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 73.04 110.223 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 p -114.49 99.68 7.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 64.32 110.28 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -86.63 1.3 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.797 -0.638 . . . . 73.11 109.648 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.41 -35.42 80.87 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.83 -0.804 . . . . 60.14 108.83 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -82.29 115.79 21.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.076 -0.966 . . . . 72.33 108.91 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.17 116.24 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.297 0.57 . . . . 41.4 111.867 -172.649 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.4 -151.69 19.97 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.847 -0.615 . . . . 63.52 113.145 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -84.3 164.92 12.85 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.219 2.613 . . . . 71.22 111.588 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.97 77.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 72.15 110.0 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.09 67.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.601 -0.727 . . . . 73.41 111.303 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -146.73 134.4 21.07 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 116.28 -0.418 . . . . 60.55 110.564 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -54.37 47.3 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.218 -0.901 . . . . 74.24 110.234 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -52.46 -45.31 66.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.406 -0.815 . . . . 72.41 110.659 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -63.63 -56.72 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 71.33 111.088 -176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.53 -51.48 66.92 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.206 0.527 . . . . 72.21 110.217 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -57.17 -53.89 52.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.291 -0.868 . . . . 72.35 111.252 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.51 -44.66 93.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.12 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -58.89 -50.05 80.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.944 -0.391 . . . . 62.4 109.944 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.6 t -58.32 -46.74 85.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.958 -0.565 . . . . 71.13 110.942 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.7 mt-30 -63.73 -32.9 74.54 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.729 0.3 . . . . 75.43 111.06 -176.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 p -76.38 -35.23 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 74.13 110.975 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 10.1 pt-20 -77.28 -28.55 53.48 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.873 -0.331 . . . . 75.14 111.182 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 1.7 tpm_? -171.81 143.16 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.398 0.279 . . . . 75.44 110.453 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.43 98.91 0.07 Allowed 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.923 0.868 . . . . 70.41 110.325 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.737 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 75.8 m -167.4 120.4 0.94 Allowed 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 113.464 -1.698 . . . . 61.34 108.627 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 178.89 1.01 Allowed Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.874 -0.603 . . . . 71.13 112.341 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.48 146.22 18.69 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.944 -0.646 . . . . 42.12 112.538 -173.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -148.95 155.13 40.38 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.689 0.395 . . . . 71.04 110.201 -174.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -114.79 111.7 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.524 -0.547 . . . . 61.24 109.524 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -139.27 141.01 37.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.602 -0.518 . . . . 63.53 109.602 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.39 166.33 12.89 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.515 -0.634 . . . . 55.12 111.515 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -65.4 -39.92 92.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.35 . . . . 71.21 110.852 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -98.7 16.05 23.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.981 0.42 . . . . 72.2 110.115 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 4.3 mpt_? 56.22 77.62 0.24 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.697 -0.683 . . . . 73.43 111.06 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -85.81 152.43 23.02 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.378 -0.601 . . . . 72.23 109.378 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.8 t -70.72 112.77 7.2 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 123.446 0.466 . . . . 74.34 109.971 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -114.76 171.01 7.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.63 . . . . 62.53 109.438 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.737 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 78.6 m -130.53 145.69 51.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.817 -0.628 . . . . 45.24 110.783 -173.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -114.77 113.26 24.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.176 0.512 . . . . 64.04 110.119 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -118.74 167.57 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.58 -0.737 . . . . 63.21 110.06 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -101.16 126.1 47.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.353 -0.24 . . . . 74.2 110.353 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.966 -0.54 . . . . 63.22 109.829 175.744 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.677 0.275 . . . . 73.41 110.277 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 m -98.43 121.65 40.64 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.996 -0.372 . . . . 75.21 109.996 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 m -114.81 136.69 52.8 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 109.956 -0.387 . . . . 53.21 109.956 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 38.5 tt0 -114.84 130.96 56.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.267 -0.879 . . . . 75.4 109.978 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -129.35 -170.54 2.3 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.162 -1.051 . . . . 44.33 108.162 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 8.5 tt0 -114.63 153.37 30.29 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.672 -0.492 . . . . 73.04 109.672 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.3 p -114.66 100.09 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.265 0.555 . . . . 64.32 110.569 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.56 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 27.2 p-80 -88.01 -7.08 57.57 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.088 -0.505 . . . . 73.11 110.794 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' HG2' ' CD ' ' A' ' 27' ' ' GLU . 23.1 tptm -70.98 -20.5 62.42 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.235 -0.654 . . . . 60.14 109.235 174.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -91.14 108.67 20.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.225 -0.898 . . . . 72.33 109.794 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.35 105.42 9.59 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 110.205 -0.295 . . . . 41.4 110.205 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.75 178.54 15.45 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.401 -0.428 . . . . 63.52 112.876 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -81.84 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.025 2.483 . . . . 71.22 111.992 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.84 ' SG ' ' HG3' ' A' ' 39' ' ' ARG . 28.4 p -74.29 74.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.144 0.497 . . . . 72.15 110.142 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.95 62.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 73.41 110.639 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -149.92 124.86 9.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 60.55 109.858 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.96 -56.77 17.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.474 -0.33 . . . . 74.24 111.132 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -53.65 -43.03 68.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.24 -0.437 . . . . 72.41 110.41 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.32 -49.78 72.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 71.33 110.547 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.37 -46.7 83.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.646 -0.706 . . . . 72.21 110.225 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.8 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 72.35 110.757 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 26' ' ' THR . 16.0 t -59.6 -47.98 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.975 -0.557 . . . . 74.31 110.372 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.1 -48.31 86.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.372 0.606 . . . . 62.4 110.601 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 34.3 t -56.9 -34.08 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 71.13 110.019 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.5 mt-30 -84.74 -20.19 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.103 -0.498 . . . . 75.43 111.954 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 22' ' ' SER . 76.6 p -70.95 -27.95 64.12 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.492 -0.929 . . . . 74.13 108.492 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' CD ' ' HG2' ' A' ' 9' ' ' LYS . 38.7 mm-40 -71.21 -73.0 0.19 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.406 -0.815 . . . . 75.14 109.666 169.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 56.6 mtp85 -151.28 159.01 44.57 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.136 -0.69 . . . . 75.44 109.136 174.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.42 101.95 0.07 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.148 0.499 . . . . 70.41 111.058 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.471 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 53.9 m -158.4 115.22 2.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.604 -0.887 . . . . 61.34 108.604 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.08 154.54 10.11 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.854 -0.612 . . . . 71.13 112.315 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.03 113.27 2.91 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.91 -0.662 . . . . 42.12 112.587 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 33' ' ' ARG . 12.1 mmm180 -122.91 177.5 5.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 71.04 110.338 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 t -122.6 132.14 54.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.194 -0.457 . . . . 61.24 109.868 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.9 tpp180 -144.37 160.22 41.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 110.124 -0.325 . . . . 63.53 110.124 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.99 157.82 33.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.147 -0.549 . . . . 55.12 112.504 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -72.45 -18.19 61.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.096 0.474 . . . . 71.21 110.361 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -93.19 7.76 42.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.571 -0.741 . . . . 72.2 110.412 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.84 ' HG3' ' SG ' ' A' ' 14' ' ' CYS . 2.6 tpp180 60.58 42.95 13.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.697 -0.683 . . . . 73.43 110.65 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.56 ' NH2' ' HA ' ' A' ' 8' ' ' HIS . 18.1 tpt180 -83.83 151.01 25.38 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.59 -0.732 . . . . 72.23 111.346 -173.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 117.23 17.7 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.21 0.528 . . . . 74.34 111.74 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 10.0 m-85 -115.19 147.0 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.37 -0.832 . . . . 62.53 109.169 174.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 96.7 m -114.75 141.57 47.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.741 0.305 . . . . 45.24 110.777 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.6 p -114.56 115.43 27.18 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.331 -0.618 . . . . 64.04 109.331 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -122.85 169.01 11.55 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.825 0.345 . . . . 63.21 110.735 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -74.7 107.02 6.54 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.806 -0.634 . . . . 74.2 109.547 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.016 -0.993 . . . . 63.22 110.258 -171.736 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.722 0.296 . . . . 73.41 111.42 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -88.81 131.35 35.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.427 -0.582 . . . . 75.21 109.427 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -114.39 134.39 55.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.43 -0.35 . . . . 53.21 110.297 -174.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HB3' HG22 ' A' ' 44' ' ' THR . 12.8 pt-20 -114.52 158.41 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.291 0.567 . . . . 75.4 110.768 -178.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -145.78 -176.61 5.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.203 -1.036 . . . . 44.33 108.203 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -113.91 135.74 53.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.267 -0.642 . . . . 73.04 109.267 -173.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -114.63 100.01 7.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.382 0.611 . . . . 64.32 111.464 -167.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -98.51 10.72 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.377 -0.971 . . . . 73.11 108.377 168.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -64.14 -40.27 95.79 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.93 -1.032 . . . . 60.14 109.36 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.38 115.31 8.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.472 -0.936 . . . . 72.33 108.472 171.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -59.68 98.64 0.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.194 0.521 . . . . 41.4 111.476 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.61 -171.81 21.41 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.664 -0.698 . . . . 63.52 112.381 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.84 150.41 73.62 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.316 2.011 . . . . 71.22 111.191 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.37 100.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 72.15 111.199 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.37 84.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.365 -0.38 . . . . 73.41 110.746 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -152.79 130.18 11.35 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.883 -0.599 . . . . 60.55 110.307 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -52.7 -56.62 14.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.328 -0.851 . . . . 74.24 111.337 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -55.09 -33.58 62.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.083 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -72.64 -53.22 12.41 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.76 -0.654 . . . . 71.33 109.967 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -61.07 -34.51 75.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.09 0.471 . . . . 72.21 109.861 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -63.55 -52.47 60.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.591 -0.732 . . . . 72.35 110.141 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -55.44 -47.34 76.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 74.31 110.359 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -57.16 -48.65 81.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.724 -0.671 . . . . 62.4 110.958 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.16 -34.79 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 71.13 110.6 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.1 mt-30 -76.68 -30.22 56.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.058 -0.519 . . . . 75.43 110.911 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -76.08 -39.91 54.27 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.672 -0.24 . . . . 74.13 111.145 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.53 -44.41 71.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.437 -0.505 . . . . 75.14 111.362 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG3' ' H ' ' A' ' 29' ' ' PHE . 21.8 tpt180 -156.39 176.23 12.97 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.501 0.191 . . . . 75.44 111.118 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.506 ' H ' ' HG3' ' A' ' 28' ' ' ARG . 38.9 t80 -73.27 102.16 3.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.707 0.765 . . . . 70.41 110.153 172.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 p -177.03 114.79 0.1 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.97 -1.468 . . . . 61.34 110.029 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.29 145.29 38.96 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.865 -0.894 . . . . 71.13 110.865 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.533 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.53 148.89 18.85 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.514 -0.851 . . . . 42.12 112.759 -174.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -158.69 143.42 15.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.654 -0.869 . . . . 71.04 108.654 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.7 m -114.19 132.54 56.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.685 -0.487 . . . . 61.24 109.685 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 108.83 1.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.483 -0.562 . . . . 63.53 109.483 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.45 -103.85 1.78 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.956 -0.858 . . . . 55.12 110.956 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -132.63 -68.12 0.62 Allowed 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 122.546 0.338 . . . . 71.21 110.541 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -135.49 88.76 2.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.429 0.633 . . . . 72.2 111.85 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 10.3 ptp85 -149.95 -45.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.364 -0.834 . . . . 73.43 109.719 172.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 14.3 tpp180 -159.55 140.6 12.61 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.03 -0.532 . . . . 72.23 109.64 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.4 t -103.92 148.3 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.714 -0.476 . . . . 74.34 109.714 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -134.75 155.32 50.78 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.427 0.454 . . . . 62.53 110.297 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -124.69 149.87 46.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 45.24 110.356 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 4' ' ' GLU . 24.1 p -131.51 130.21 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 64.04 110.402 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -131.1 178.86 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.031 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -97.19 128.49 44.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 74.2 111.024 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.782 -0.628 . . . . 63.22 109.962 173.898 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.134 -0.321 . . . . 73.41 110.134 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 m -103.55 128.85 50.71 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.393 -0.595 . . . . 75.21 109.393 173.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m -128.9 144.49 51.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 53.21 110.973 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 124.77 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.597 -0.729 . . . . 75.4 110.166 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -112.96 -176.19 2.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.236 -0.653 . . . . 44.33 109.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -117.83 141.95 47.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.819 0.342 . . . . 73.04 110.22 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 p -114.74 108.82 17.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.929 -0.578 . . . . 64.32 110.176 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -104.14 -3.24 24.7 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.695 -0.684 . . . . 73.11 109.631 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -66.38 -28.15 68.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.593 -0.73 . . . . 60.14 111.163 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.2 102.38 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.164 -0.68 . . . . 72.33 109.164 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -75.98 142.29 41.96 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.854 -0.612 . . . . 41.4 111.35 -172.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.15 -158.13 25.46 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 116.141 -0.481 . . . . 63.52 112.233 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -87.25 177.98 3.66 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.235 2.624 . . . . 71.22 111.416 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.9 t -75.19 75.42 2.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 72.15 109.351 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.34 83.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.579 -0.737 . . . . 73.41 111.291 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.1 t -160.04 130.36 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.172 -0.467 . . . . 60.55 110.284 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -63.16 -40.16 96.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.492 . . . . 74.24 110.074 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -64.49 -37.55 87.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.508 -0.769 . . . . 72.41 109.743 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -75.46 -38.31 59.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.652 -0.704 . . . . 71.33 110.747 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.3 t -55.89 -48.29 75.88 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 109.546 -0.538 . . . . 72.21 109.546 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 32' ' ' GLY . . . -61.31 -47.48 85.74 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.507 -0.77 . . . . 72.35 110.681 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 t -55.17 -53.48 55.44 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.797 -0.638 . . . . 74.31 110.723 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.94 -52.96 48.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.943 -0.572 . . . . 62.4 110.57 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -56.13 -41.49 75.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 71.13 110.561 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -72.47 -36.58 68.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.553 -0.294 . . . . 75.43 111.462 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -67.97 -27.48 66.63 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.926 0.393 . . . . 74.13 110.22 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -75.25 -53.71 8.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.077 -0.511 . . . . 75.14 110.371 173.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.4 148.52 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 75.44 109.825 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.32 102.93 0.34 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.561 0.696 . . . . 70.41 109.842 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 49.8 m -162.98 113.18 1.4 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.397 -1.274 . . . . 61.34 109.492 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.08 117.51 10.46 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 111.283 -0.727 . . . . 71.13 111.283 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -114.37 132.03 10.23 Favored Glycine 0 C--N 1.328 0.128 0 C-N-CA 120.525 -0.845 . . . . 42.12 113.169 -168.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 2.8 mmp_? -120.53 176.07 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.578 -0.527 . . . . 71.04 109.578 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 t -114.75 149.13 37.38 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.985 0.422 . . . . 61.24 110.449 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.777 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 4.4 tpm_? -123.38 120.89 34.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 63.53 109.497 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 37' ' ' PHE . . . 71.93 -106.47 1.93 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.456 -0.658 . . . . 55.12 111.456 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 57.0 t80 176.93 -35.71 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.83 0.348 . . . . 71.21 110.401 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -52.35 -53.9 38.71 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.865 -0.607 . . . . 72.2 111.314 -175.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 178.61 84.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 110.132 -0.321 . . . . 73.43 110.132 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.777 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -159.24 130.59 6.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.462 -0.336 . . . . 72.23 110.494 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.07 137.17 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 74.34 109.79 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -129.57 133.13 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.391 -0.368 . . . . 62.53 110.092 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 79.2 m -115.02 144.21 43.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.112 -0.494 . . . . 45.24 110.63 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -120.7 135.67 55.07 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.295 -0.411 . . . . 64.04 110.112 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -147.09 170.16 17.74 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.959 -0.564 . . . . 63.21 110.468 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -82.76 110.09 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.829 -0.623 . . . . 74.2 109.972 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.247 0.961 0 N-CA-C 108.965 -0.754 . . . . 63.22 108.965 175.353 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 1' ' ' ARG . 19.2 ptt-85 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.488 -0.19 . . . . 73.41 110.488 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -97.1 133.84 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.321 -0.622 . . . . 75.21 109.321 172.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -114.48 109.0 17.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.732 -0.47 . . . . 53.21 109.732 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -125.18 125.48 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.392 0.615 . . . . 75.4 110.832 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -104.91 177.01 4.97 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.027 -0.988 . . . . 44.33 108.414 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -114.45 135.54 53.99 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.811 -0.811 . . . . 73.04 108.811 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.407 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 23.1 t -114.56 99.51 7.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.525 0.678 . . . . 64.32 110.291 -175.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -96.19 9.79 39.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 73.11 108.933 172.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.03 -0.986 . . . . 60.14 108.913 168.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -73.82 154.28 39.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.104 -0.953 . . . . 72.33 109.169 172.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -77.4 80.56 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.129 0.49 . . . . 41.4 111.484 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.67 -134.99 14.81 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 115.503 -0.771 . . . . 63.52 113.074 175.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.25 166.09 29.37 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.24 2.627 . . . . 71.22 112.304 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 44.5 t -73.81 86.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 72.15 110.752 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -16.25 61.51 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.888 -0.596 . . . . 73.41 110.472 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.5 t -164.26 119.46 1.51 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.431 -0.804 . . . . 60.55 109.952 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 4.9 p-10 -62.48 -39.61 94.01 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.105 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -62.74 -42.41 99.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 72.41 110.199 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -68.59 -48.98 62.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.875 -0.602 . . . . 71.33 110.01 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.44 -49.27 55.44 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.271 0.558 . . . . 72.21 110.21 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -58.99 -54.91 41.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.333 -0.849 . . . . 72.35 111.238 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 26' ' ' THR . 12.4 t -56.64 -42.75 79.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 74.31 110.922 -175.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 64.6 t -60.69 -55.45 24.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.025 0.44 . . . . 62.4 110.406 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.7 -31.65 70.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.081 -0.509 . . . . 71.13 110.781 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -74.96 -33.89 61.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.491 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 22' ' ' SER . 29.7 p -75.21 -33.92 61.44 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.088 -0.245 . . . . 74.13 110.547 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 45.7 mt-10 -63.08 -48.73 77.37 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 110.122 -0.325 . . . . 75.14 110.122 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 28' ' ' ARG . 17.1 mtp180 -164.9 177.21 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.63 0.772 . . . . 75.44 109.806 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -69.05 101.56 1.44 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 122.06 0.933 . . . . 70.41 109.919 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -163.6 115.1 1.41 Allowed 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 113.869 -1.514 . . . . 61.34 108.364 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.69 168.44 13.3 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.106 -0.569 . . . . 71.13 112.077 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.74 153.92 17.32 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.953 -0.641 . . . . 42.12 112.087 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -151.82 159.25 43.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.694 -0.484 . . . . 71.04 109.694 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 83.1 m -137.54 100.23 4.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.511 -0.922 . . . . 61.24 108.511 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 71.6 ttt180 -92.42 152.2 19.84 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.468 -0.787 . . . . 63.53 111.603 -168.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.02 66.45 2.16 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.317 -0.856 . . . . 55.12 112.099 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.0 t80 64.35 35.79 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.83 0.824 . . . . 71.21 109.474 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 15.1 mmt180 63.52 20.46 12.26 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.292 -0.867 . . . . 72.2 111.86 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -71.81 -48.51 45.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.449 0.537 . . . . 73.43 112.449 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.1 tpp180 -121.42 142.87 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 122.113 -0.367 . . . . 72.23 111.93 -171.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 13.5 t -78.99 128.65 33.54 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.752 -0.658 . . . . 74.34 111.273 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 45.6 m-85 -129.13 160.57 32.43 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.94 0.896 . . . . 62.53 109.066 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -115.46 134.44 55.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.958 -0.386 . . . . 45.24 109.958 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -114.65 132.65 56.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.628 0.251 . . . . 64.04 110.77 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -156.12 -179.96 8.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.746 -0.464 . . . . 63.21 109.746 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -106.9 109.56 21.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.561 -0.533 . . . . 74.2 109.561 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 118.444 -0.789 . . . . 63.22 109.954 179.577 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.832 0.349 . . . . 73.41 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.9 m -82.86 130.7 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 75.21 110.385 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.7 m -114.64 135.62 53.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.355 -0.609 . . . . 53.21 109.355 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -114.74 123.42 49.2 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.347 0.594 . . . . 75.4 111.188 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 p -105.61 176.02 5.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.33 -0.85 . . . . 44.33 109.255 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -114.72 154.4 28.55 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.712 -0.847 . . . . 73.04 108.712 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -114.68 99.7 7.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.5 0.667 . . . . 64.32 110.008 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -87.42 -5.4 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.082 -1.081 . . . . 73.11 108.082 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.62 -47.91 82.78 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.688 -1.142 . . . . 60.14 108.87 172.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -69.77 130.74 43.15 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.849 -1.069 . . . . 72.33 109.235 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -102.46 102.5 12.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.279 -0.419 . . . . 41.4 111.25 -172.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.97 -172.45 15.79 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.633 -0.712 . . . . 63.52 112.018 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.02 146.81 37.58 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 71.22 110.676 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.698 ' SG ' ' HB3' ' A' ' 39' ' ' ARG . 29.1 p -70.47 78.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.198 0.523 . . . . 72.15 110.35 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.65 66.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.703 -0.68 . . . . 73.41 111.125 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -126.36 114.84 18.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.208 -0.451 . . . . 60.55 110.186 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -58.0 -51.97 67.46 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.913 -0.585 . . . . 74.24 111.409 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -58.6 -42.35 87.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.841 0.353 . . . . 72.41 110.686 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 23' ' ' VAL . 25.5 t-20 -62.83 -58.82 6.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.639 -0.709 . . . . 71.33 110.635 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -52.37 -49.16 64.95 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.101 -0.499 . . . . 72.21 110.927 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.95 -55.42 30.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.43 -0.805 . . . . 72.35 110.486 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.8 t -57.65 -41.81 82.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.31 110.735 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 19' ' ' ASN . 54.9 t -56.12 -46.79 81.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.379 -0.373 . . . . 62.4 110.325 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 30' ' ' SER . 43.0 t -60.9 -46.79 89.23 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.175 -0.466 . . . . 71.13 110.566 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.35 -31.08 71.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.631 -0.258 . . . . 75.43 111.532 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.3 p -83.08 -27.41 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.578 0.228 . . . . 74.13 111.221 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -77.23 -39.67 47.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.498 -0.319 . . . . 75.14 110.63 -178.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.541 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 4.8 mmp_? -157.18 -171.86 3.79 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.092 0.472 . . . . 75.44 110.909 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.3 83.58 3.89 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.109 -0.7 . . . . 70.41 109.109 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 55.5 m -161.92 119.38 2.18 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.317 -1.31 . . . . 61.34 108.258 -175.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.17 138.43 47.71 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.742 -0.663 . . . . 71.13 111.636 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.18 11.57 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.933 -0.651 . . . . 42.12 112.901 -173.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.26 -179.38 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.561 0.744 . . . . 71.04 109.514 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 70.9 m -114.06 130.3 56.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 61.24 110.179 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -139.27 131.23 27.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.831 -0.803 . . . . 63.53 108.831 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.446 ' N ' ' HD3' ' A' ' 35' ' ' ARG . . . 117.01 162.34 12.62 Favored Glycine 0 C--N 1.33 0.212 0 N-CA-C 111.875 -0.49 . . . . 55.12 111.875 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -68.57 -30.98 69.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.328 0.585 . . . . 71.21 110.358 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 12.8 tpt180 -89.7 5.84 44.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 72.2 110.74 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.698 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.9 mtp180 54.73 65.76 1.42 Allowed 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.348 0.594 . . . . 73.43 110.717 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -83.82 133.49 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.397 -0.82 . . . . 72.23 109.095 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.627 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 58.9 m -67.13 116.54 8.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 74.34 110.96 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -116.03 147.01 41.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 62.53 109.809 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.2 m -115.31 152.55 32.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.593 . . . . 45.24 110.581 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -135.04 128.16 31.77 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.184 -0.462 . . . . 64.04 110.614 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -136.63 -179.89 5.96 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.614 -0.721 . . . . 63.21 109.753 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -103.9 138.92 39.78 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.784 -0.189 . . . . 74.2 110.514 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.067 -0.492 . . . . 63.22 110.12 176.165 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 110.172 -0.307 . . . . 73.41 110.172 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.6 m -106.63 145.17 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.88 0.371 . . . . 75.21 110.189 176.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HB2' HG23 ' A' ' 45' ' ' THR . 35.2 m -114.76 114.02 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.252 -0.647 . . . . 53.21 109.252 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -114.71 127.84 55.98 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.158 0.504 . . . . 75.4 109.968 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 m -125.26 178.28 5.67 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.387 -0.968 . . . . 44.33 108.387 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -114.28 152.51 31.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.877 -0.786 . . . . 73.04 108.877 -176.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.477 ' OG ' ' SG ' ' A' ' 43' ' ' CYS . 2.1 m -113.75 99.55 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.262 0.553 . . . . 64.32 110.314 -172.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -93.5 3.04 56.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.429 -0.805 . . . . 73.11 109.672 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.21 -32.51 63.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.569 -0.742 . . . . 60.14 109.387 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -78.72 118.11 20.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.827 -0.805 . . . . 72.33 108.827 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -86.9 113.71 22.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.132 0.491 . . . . 41.4 110.617 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.55 175.38 37.11 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.273 -0.876 . . . . 63.52 112.136 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.32 164.46 35.57 Favored 'Trans proline' 0 C--O 1.239 0.546 0 C-N-CA 122.508 2.139 . . . . 71.22 111.764 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 95.3 m -60.69 93.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 72.15 111.829 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -29.48 69.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.77 -0.65 . . . . 73.41 109.382 169.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -148.35 123.67 10.27 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.212 -0.904 . . . . 60.55 110.134 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.68 -33.12 71.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.28 -0.418 . . . . 74.24 110.104 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.34 -52.18 59.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.664 -0.698 . . . . 72.41 110.086 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.54 -47.64 84.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.39 -0.823 . . . . 71.33 110.052 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -58.32 -50.3 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 72.21 110.795 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.552 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.59 -44.89 95.72 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.463 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -57.68 -39.58 77.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 74.31 109.947 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 t -63.15 -46.81 94.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.538 -0.755 . . . . 62.4 110.877 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.75 -42.17 71.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.91 0.386 . . . . 71.13 110.297 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 92.5 mt-30 -65.45 -43.01 91.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.824 -0.626 . . . . 75.43 111.199 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -68.23 -31.47 71.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 74.13 110.952 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.05 -66.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 75.14 110.264 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -155.21 -173.99 4.79 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.438 0.295 . . . . 75.44 110.383 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -72.1 85.41 1.02 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.729 0.776 . . . . 70.41 109.821 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.8 m -158.75 117.05 2.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.642 -1.163 . . . . 61.34 108.326 -174.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.23 172.33 4.59 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.427 -0.669 . . . . 71.13 111.427 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -127.94 149.68 18.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.43 -0.89 . . . . 42.12 112.663 -177.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -156.39 148.84 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.624 -0.51 . . . . 71.04 109.624 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.83 110.93 20.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.992 -0.744 . . . . 61.24 108.992 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.644 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 5.2 ppt_? -132.54 133.0 43.19 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.504 0.669 . . . . 63.53 111.165 -173.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.99 155.0 9.3 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 110.521 -1.032 . . . . 55.12 110.521 -173.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -68.26 -24.03 64.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.203 0.525 . . . . 71.21 110.729 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -83.94 -0.53 51.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.634 . . . . 72.2 110.53 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.616 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 56.42 70.07 0.68 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.649 -0.501 . . . . 73.43 109.649 -172.408 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -93.88 133.31 37.43 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.011 -0.54 . . . . 72.23 110.702 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.583 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.5 m -72.94 124.7 25.96 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.58 -0.737 . . . . 74.34 112.239 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 88.5 m-85 -128.47 144.63 51.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.168 -0.924 . . . . 62.53 109.244 173.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.477 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 36.6 m -114.67 134.62 54.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.966 -0.753 . . . . 45.24 108.966 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -114.73 116.05 28.03 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.265 0.555 . . . . 64.04 111.681 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 3' ' ' CYS . 8.2 t -121.67 -179.84 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.763 -0.829 . . . . 63.21 108.763 174.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -117.57 16.49 14.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.646 0.26 . . . . 74.2 110.63 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.395 -0.821 . . . . 63.22 111.456 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.924 -0.399 . . . . 73.41 109.924 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.9 m -147.92 147.54 29.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 75.21 110.756 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -129.24 127.03 40.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.55 -0.537 . . . . 53.21 109.55 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.636 ' HB3' HG22 ' A' ' 44' ' ' THR . 8.8 pt-20 -128.79 126.36 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 75.4 110.269 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -123.83 -176.49 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.714 -0.675 . . . . 44.33 109.744 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.502 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 8.3 tt0 -114.62 133.59 55.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.781 0.324 . . . . 73.04 110.2 -174.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 t -114.79 120.33 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 64.32 110.413 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -102.7 10.17 38.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.326 -0.62 . . . . 73.11 109.326 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.2 -35.47 79.69 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.817 -0.629 . . . . 60.14 109.532 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.67 -178.98 1.61 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.102 -0.954 . . . . 72.33 109.337 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.28 36.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.195 0.443 . . . . 41.4 112.195 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.87 -111.32 3.66 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-O 119.77 -0.461 . . . . 63.52 112.12 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.63 100.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.64 2.227 . . . . 71.22 111.5 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.8 t -48.12 108.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 72.15 111.88 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.34 69.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.757 -0.656 . . . . 73.41 110.296 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -143.03 121.95 12.75 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.857 -0.61 . . . . 60.55 110.844 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.771 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 14.6 t70 -55.32 -44.14 75.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.357 -0.838 . . . . 74.24 110.363 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.81 -41.4 82.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.705 -0.68 . . . . 72.41 110.806 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.91 -45.39 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.533 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.62 -42.03 91.77 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.279 -0.637 . . . . 72.21 109.279 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.89 -52.09 66.54 Favored 'General case' 0 CA--C 1.523 -0.063 0 CA-C-N 115.426 -0.806 . . . . 72.35 110.876 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 26' ' ' THR . 26.8 t -55.4 -45.95 76.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 74.31 110.311 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -57.5 -58.36 6.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.985 -0.552 . . . . 62.4 110.73 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.92 -31.99 70.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.267 -0.424 . . . . 71.13 111.137 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -79.02 -32.97 45.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.466 -0.334 . . . . 75.43 111.391 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 22' ' ' SER . 24.9 p -69.19 -37.5 78.17 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.558 -0.534 . . . . 74.13 109.558 177.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -55.78 -67.35 0.3 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.152 -0.477 . . . . 75.14 111.01 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtm-85 -149.94 -176.84 5.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.696 -0.684 . . . . 75.44 110.404 -173.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.95 100.16 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.944 0.878 . . . . 70.41 109.296 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 p -172.85 115.25 0.28 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.654 -1.612 . . . . 61.34 109.837 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.04 146.47 43.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.104 -0.799 . . . . 71.13 111.104 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.29 141.77 17.18 Favored Glycine 0 CA--C 1.507 -0.451 0 C-N-CA 120.523 -0.846 . . . . 42.12 111.343 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -143.92 150.51 38.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.343 -0.614 . . . . 71.04 109.343 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.771 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.3 m -114.77 100.13 8.01 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.136 -0.69 . . . . 61.24 109.136 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -112.7 153.74 27.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.256 -0.884 . . . . 63.53 110.663 -169.677 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.46 148.53 8.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.34 -0.457 . . . . 55.12 112.05 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -58.35 -22.36 53.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.163 0.506 . . . . 71.21 110.799 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -76.51 0.96 18.03 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.738 -0.665 . . . . 72.2 111.137 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 61.18 42.44 12.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.013 0.435 . . . . 73.43 109.981 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 5.5 tpp85 -79.33 131.03 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 72.23 111.225 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.12 123.84 29.33 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.431 . . . . 74.34 111.474 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -122.87 146.6 47.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.713 -0.676 . . . . 62.53 110.458 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 35.8 m -114.88 132.28 56.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 45.24 109.712 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 4' ' ' GLU . 27.9 p -121.68 122.22 39.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 64.04 110.612 -173.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -137.28 176.58 8.58 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.81 -0.441 . . . . 63.21 109.81 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -101.2 124.38 46.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.598 0.237 . . . . 74.2 111.434 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.1 m . . . . . 0 C--O 1.248 0.994 0 N-CA-C 109.279 -0.637 . . . . 63.22 109.279 170.328 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 1' ' ' ARG . 12.0 mmt180 . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.057 -0.349 . . . . 73.41 110.057 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.6 m -109.26 146.93 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.968 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -114.76 148.74 37.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.94 -0.763 . . . . 53.21 108.94 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 169.76 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.835 0.35 . . . . 75.4 110.558 -177.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -159.04 170.83 21.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 44.33 109.334 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -117.83 130.75 56.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.83 0.348 . . . . 73.04 110.561 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 65.1 m -114.57 99.39 7.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.489 . . . . 64.32 111.918 -177.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -103.26 14.89 30.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.035 -1.098 . . . . 73.11 108.035 166.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 1.3 mptp? -60.67 -27.65 68.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 114.619 -1.173 . . . . 60.14 109.111 175.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.9 102.8 11.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.395 -1.275 . . . . 72.33 109.236 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' H ' ' HD3' ' A' ' 11' ' ' LYS . 3.0 mppt? -72.44 124.1 24.47 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.485 -0.325 . . . . 41.4 110.558 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -171.47 21.62 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 115.892 -0.594 . . . . 63.52 112.087 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 138.6 66.58 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.574 2.183 . . . . 71.22 111.647 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.62 87.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.134 0.492 . . . . 72.15 110.238 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.16 25.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.459 -0.791 . . . . 73.41 111.965 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -146.41 141.17 26.9 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 120.999 0.428 . . . . 60.55 111.635 -174.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.433 ' CG ' HH21 ' A' ' 33' ' ' ARG . 4.8 m-20 -57.9 -41.64 83.02 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.418 -0.81 . . . . 74.24 109.675 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -51.47 -47.07 63.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.271 -0.877 . . . . 72.41 110.397 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.31 -50.88 27.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.194 -0.912 . . . . 71.33 110.636 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -60.83 -39.05 87.57 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.026 0.441 . . . . 72.21 110.079 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.82 78.44 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.883 -0.599 . . . . 72.35 110.591 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 26' ' ' THR . 35.7 t -55.47 -49.18 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 74.31 110.034 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.74 -49.31 85.06 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.547 -0.752 . . . . 62.4 110.716 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.24 -36.69 71.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.523 -0.762 . . . . 71.13 110.28 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.1 mt-30 -76.8 -29.13 55.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.792 -0.64 . . . . 75.43 111.294 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 22' ' ' SER . 40.0 p -71.24 -29.59 65.3 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.739 -0.467 . . . . 74.13 109.739 176.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HB3' ' HD3' ' A' ' 28' ' ' ARG . 8.4 mt-10 -68.02 -73.24 0.15 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.257 -0.577 . . . . 75.14 110.376 169.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -141.26 176.31 8.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.916 0.388 . . . . 75.44 110.215 179.014 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -66.8 110.76 3.41 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.159 0.504 . . . . 70.41 110.045 172.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.586 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 3.4 p -173.94 112.76 0.19 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.915 -1.039 . . . . 61.34 110.492 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 149.25 51.65 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.908 -0.587 . . . . 71.13 111.711 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.85 150.18 18.74 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 42.12 113.332 -172.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.433 HH21 ' CG ' ' A' ' 17' ' ' ASP . 4.5 tpm_? -151.6 149.59 29.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.004 -1.109 . . . . 71.04 108.004 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.826 ' SG ' ' HA ' ' A' ' 38' ' ' ARG . 39.7 t -114.18 113.37 24.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.919 0.39 . . . . 61.24 110.278 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -117.59 -168.41 1.49 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.646 -0.706 . . . . 63.53 110.346 -174.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.73 76.16 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 111.988 -0.445 . . . . 55.12 111.988 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.0 t80 56.19 57.91 4.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.498 0.666 . . . . 71.21 109.775 -172.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.826 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 81.5 mtt180 61.5 28.15 17.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.152 -0.931 . . . . 72.2 111.637 173.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -127.65 -7.95 5.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.001 -0.545 . . . . 73.43 111.345 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 43.0 ttt180 -138.67 99.07 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 72.23 110.101 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.7 131.8 34.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.498 -0.319 . . . . 74.34 110.363 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 74.8 m-85 -116.77 157.24 25.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.002 0.429 . . . . 62.53 110.474 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 86.5 m -124.83 157.36 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 45.24 110.326 176.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 p -132.93 124.08 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.896 -0.593 . . . . 64.04 109.885 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -126.89 162.55 25.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.25 -0.432 . . . . 63.21 110.51 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -97.82 114.64 26.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 74.2 109.653 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.108 -0.472 . . . . 63.22 109.847 177.057 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 110.17 -0.307 . . . . 73.41 110.17 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.1 m -144.56 124.91 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 75.21 110.264 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.8 m -114.73 108.3 16.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 53.21 110.358 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.661 ' HB3' HG22 ' A' ' 44' ' ' THR . 12.6 pt-20 -114.85 111.86 21.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.471 0.653 . . . . 75.4 110.539 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -94.35 -164.97 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.857 -1.065 . . . . 44.33 108.913 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.517 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 21.2 tm0? -113.85 159.28 20.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.226 -1.027 . . . . 73.04 108.226 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 1.4 m -113.38 99.64 7.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.392 0.615 . . . . 64.32 110.754 -169.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -88.61 -4.38 58.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.303 -0.862 . . . . 73.11 110.396 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.64 -21.47 23.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.855 -0.611 . . . . 60.14 111.649 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -78.47 151.86 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.66 -0.496 . . . . 72.33 109.66 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.41 92.41 5.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.997 0.903 . . . . 41.4 110.196 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.24 -148.47 34.38 Favored Glycine 0 C--N 1.307 -1.068 0 CA-C-N 113.906 -1.497 . . . . 63.52 112.34 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -80.92 -173.2 1.75 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.757 2.305 . . . . 71.22 111.548 176.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.9 m -68.84 84.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 72.15 111.247 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.6 -26.19 64.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.419 0.628 . . . . 73.41 109.937 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -151.97 111.4 3.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.314 -0.857 . . . . 60.55 108.936 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.533 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 2.6 m-20 -54.93 -47.78 73.98 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.352 0.407 . . . . 74.24 111.072 -173.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -59.97 -42.82 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 72.41 110.456 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.94 -49.41 72.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 71.33 109.953 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -57.8 -44.02 86.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.522 -0.763 . . . . 72.21 110.433 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -59.92 -49.32 78.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.64 177.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -58.95 -44.75 91.48 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.258 0.552 . . . . 74.31 110.37 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.89 -43.97 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.634 -0.712 . . . . 62.4 110.352 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 98.5 m -69.45 -22.16 63.67 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.393 -0.367 . . . . 71.13 111.184 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 76.7 mt-30 -73.04 -37.07 67.0 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.852 0.358 . . . . 75.43 110.326 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -77.86 -24.65 48.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.185 0.517 . . . . 74.13 111.223 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.603 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 35.2 mm-40 -85.71 -70.26 0.61 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.901 -0.591 . . . . 75.14 111.459 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.603 ' NH1' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.88 -179.09 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 75.44 111.253 -176.116 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -86.45 -51.23 6.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.737 -0.665 . . . . 70.41 112.407 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.557 ' H ' ' HA ' ' A' ' 45' ' ' THR . 16.3 m -86.88 -23.98 25.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.655 0.613 . . . . 61.34 112.655 -169.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.535 ' HA2' ' HG2' ' A' ' 25' ' ' GLN . . . 137.3 -138.57 9.82 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.24 -0.981 . . . . 71.13 112.846 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -144.62 -179.86 21.32 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.242 -0.504 . . . . 42.12 113.254 -174.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 6.2 tpp180 -158.38 147.67 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.905 0.482 . . . . 71.04 109.874 -175.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.7 m -126.67 119.73 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.701 -0.852 . . . . 61.24 108.701 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -170.0 160.36 8.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.032 0.444 . . . . 63.53 111.9 -168.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.67 -129.4 9.84 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.572 -0.74 . . . . 55.12 114.609 165.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 39.2 m-85 -56.06 102.89 0.08 Allowed 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.211 0.604 . . . . 71.21 111.758 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 57.25 29.02 16.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.847 -0.615 . . . . 72.2 111.18 175.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 66.31 64.77 0.51 Allowed 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.544 -0.91 . . . . 73.43 108.544 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HE ' ' NE2' ' A' ' 6' ' ' GLN . 11.9 tpt180 -86.06 153.31 22.21 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.912 -1.04 . . . . 72.23 111.468 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.3 m -79.25 123.26 27.27 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.404 -0.816 . . . . 74.34 111.338 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 66.8 m-85 -122.76 148.25 45.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.144 -0.935 . . . . 62.53 108.861 175.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.452 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 79.8 m -117.11 143.28 45.97 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 45.24 109.763 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 4' ' ' GLU . 77.8 p -114.66 134.05 55.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.775 0.321 . . . . 64.04 110.262 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.557 ' HA ' ' H ' ' A' ' 30' ' ' SER . 6.8 t -139.56 170.8 15.25 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.211 -0.45 . . . . 63.21 110.067 -178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -91.36 136.63 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 74.2 110.748 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--O 1.247 0.923 0 N-CA-C 109.128 -0.693 . . . . 63.22 109.128 171.876 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.1 0.476 . . . . 73.41 110.525 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.2 m -126.62 124.31 39.61 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.803 -0.635 . . . . 75.21 109.77 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.541 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 78.8 m -114.66 154.66 28.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.267 -0.271 . . . . 53.21 110.267 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -114.87 157.91 22.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.906 0.384 . . . . 75.4 110.433 177.854 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -151.12 177.39 10.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.995 -0.548 . . . . 44.33 110.216 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.416 ' NE2' ' HG2' ' A' ' 40' ' ' ARG . 5.2 tp-100 -114.52 136.8 52.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.91 -0.404 . . . . 73.04 109.91 -177.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.6 t -126.56 114.54 18.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.108 0.48 . . . . 64.32 110.816 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -97.21 11.14 37.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.093 -0.706 . . . . 73.11 109.093 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -68.72 -40.35 79.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.02 -0.991 . . . . 60.14 109.988 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 14' ' ' CYS . 55.6 t80 -65.23 108.04 1.77 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.718 -0.845 . . . . 72.33 108.718 175.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -76.96 110.99 12.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.896 -0.593 . . . . 41.4 111.078 -171.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.55 162.46 30.27 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.231 -0.895 . . . . 63.52 111.798 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.63 139.12 79.45 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.329 2.019 . . . . 71.22 111.065 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 27.0 p -68.1 97.72 0.72 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.5 0.666 . . . . 72.15 110.671 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -29.88 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.34 -0.845 . . . . 73.41 110.895 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -144.74 127.46 16.22 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.975 -0.557 . . . . 60.55 110.623 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.74 -28.46 63.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 74.24 110.198 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -52.47 -57.78 8.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.862 -0.608 . . . . 72.41 110.26 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.59 -46.72 84.53 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.181 -0.918 . . . . 71.33 110.124 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.99 -46.8 78.59 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.466 -0.788 . . . . 72.21 110.548 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.29 84.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 72.35 111.181 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 t -58.21 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 74.31 110.573 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.53 -50.33 80.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.222 0.534 . . . . 62.4 110.168 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -56.57 -29.61 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 71.13 111.08 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.12 -48.39 24.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.462 0.172 . . . . 75.43 110.698 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.8 p -59.4 -29.16 67.54 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.906 -0.318 . . . . 74.13 110.464 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -80.75 -56.06 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.152 0.501 . . . . 75.14 110.409 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -126.27 92.79 3.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.582 -0.735 . . . . 75.44 110.215 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -61.61 88.1 0.02 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.085 0.469 . . . . 70.41 110.806 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -164.75 -89.46 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.365 -0.834 . . . . 61.34 110.374 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.5 150.85 23.14 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.356 -0.926 . . . . 71.13 112.688 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.61 148.01 19.36 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.438 -0.665 . . . . 42.12 111.438 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' HG3' ' H ' ' A' ' 34' ' ' CYS . 12.9 tpt180 -163.09 179.85 7.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.929 0.365 . . . . 71.04 110.204 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.614 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 69.9 m -114.15 116.0 28.4 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.403 -0.591 . . . . 61.24 109.403 177.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.519 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 3.7 tpm_? -114.68 115.51 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.26 0.552 . . . . 63.53 110.012 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.59 153.74 10.01 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.234 -0.894 . . . . 55.12 112.176 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.2 -30.86 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.605 0.362 . . . . 71.21 111.283 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -82.11 16.22 2.04 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.271 0.471 . . . . 72.2 112.271 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 61.41 29.38 18.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.579 0.228 . . . . 73.43 111.452 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' HG2' ' NE2' ' A' ' 6' ' ' GLN . 0.6 OUTLIER -75.45 124.8 27.78 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.496 -0.32 . . . . 72.23 110.329 -177.411 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 10.5 m -76.99 120.22 21.8 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.176 0.512 . . . . 74.34 112.053 -176.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 22.0 m-85 -114.59 146.54 40.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 62.53 109.238 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.1 m -114.83 140.86 48.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.197 -0.456 . . . . 45.24 111.047 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.5 p -114.73 114.82 26.13 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.94 -0.763 . . . . 64.04 108.94 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -129.34 160.63 32.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 63.21 110.223 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -71.22 127.32 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.268 -0.641 . . . . 74.2 109.268 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.541 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 12.3 m . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.674 -0.679 . . . . 63.22 110.776 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.754 -0.461 . . . . 73.41 109.754 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -104.18 116.2 31.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.973 0.416 . . . . 75.21 110.664 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.6 m -117.05 124.34 49.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.264 -0.643 . . . . 53.21 109.264 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -120.74 162.58 19.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.299 0.571 . . . . 75.4 111.075 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -147.83 -174.54 4.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 44.33 108.905 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -114.66 144.29 43.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.678 -0.489 . . . . 73.04 109.678 -176.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 p -114.6 102.56 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.379 0.609 . . . . 64.32 110.45 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -107.83 -4.6 17.88 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.434 -0.803 . . . . 73.11 110.714 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.33 -29.79 69.45 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.042 0.449 . . . . 60.14 110.451 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.93 136.36 57.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.758 . . . . 72.33 110.193 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.1 86.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 41.4 111.219 -174.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.21 -173.78 37.92 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.88 -0.6 . . . . 63.52 112.191 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.94 162.38 22.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.799 2.332 . . . . 71.22 111.986 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 14.2 t -57.2 92.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 72.15 111.54 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.45 95.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.336 0.589 . . . . 73.41 109.564 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 m -153.11 135.47 15.03 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.311 -0.858 . . . . 60.55 109.52 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 10.9 p-10 -55.77 -41.88 74.71 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.288 -0.414 . . . . 74.24 109.912 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -56.99 -39.05 73.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 72.41 109.822 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -67.54 -55.51 13.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.637 -0.711 . . . . 71.33 110.299 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.01 -40.79 94.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.154 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.71 -49.15 76.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.815 -0.63 . . . . 72.35 110.478 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' THR . 17.7 t -56.61 -48.13 78.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 74.31 110.128 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.21 -49.86 82.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 CA-C-N 116.008 -0.542 . . . . 62.4 110.582 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.8 t -59.35 -28.54 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 71.13 110.295 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 98.4 mt-30 -86.92 -21.26 26.39 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.238 -0.437 . . . . 75.43 111.535 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' SER . 41.0 p -78.09 -30.38 49.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.879 0.371 . . . . 74.13 110.074 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.93 -40.41 12.4 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.522 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.532 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 3.2 mmp_? -141.74 175.18 9.91 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.905 0.384 . . . . 75.44 111.075 -174.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.29 91.75 4.64 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.732 -0.84 . . . . 70.41 108.732 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.526 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 6.5 p -165.46 115.28 1.05 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.787 -1.097 . . . . 61.34 108.836 -175.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -58.76 144.94 43.66 Favored Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.653 -0.703 . . . . 71.13 111.791 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.71 133.07 10.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.803 -0.713 . . . . 42.12 112.226 -175.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.68 161.7 34.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.374 -0.973 . . . . 71.04 108.374 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 73.5 m -114.61 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.069 -0.394 . . . . 61.24 110.605 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -135.8 169.28 17.81 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.609 -0.723 . . . . 63.53 109.764 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.56 32.88 79.63 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.369 -0.444 . . . . 55.12 112.533 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 t80 52.29 79.53 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.785 0.434 . . . . 71.21 110.723 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 14' ' ' CYS . 8.0 mpt_? 67.86 -32.33 0.2 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.756 1.021 . . . . 72.2 113.756 -178.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -64.63 -39.12 93.15 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.304 0.483 . . . . 73.43 112.304 -168.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -112.74 158.99 19.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.265 0.555 . . . . 72.23 111.771 -177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.7 t -139.01 139.53 37.89 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.628 -0.878 . . . . 74.34 108.628 171.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -132.31 146.05 51.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.307 . . . . 62.53 110.478 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 89.0 m -114.9 133.96 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 45.24 110.487 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 4' ' ' GLU . 25.5 p -114.69 125.82 54.16 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.312 -0.404 . . . . 64.04 110.01 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 12.3 t -117.89 152.69 34.91 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.956 -0.565 . . . . 63.21 110.1 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -68.15 96.8 0.66 Allowed 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.967 -0.753 . . . . 74.2 108.967 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.689 -0.672 . . . . 63.22 110.21 -175.267 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.501 -0.185 . . . . 73.41 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.2 m -67.15 112.13 4.28 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.176 -0.675 . . . . 75.21 109.176 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 t -118.24 131.98 56.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.558 -0.746 . . . . 53.21 110.157 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.84 149.23 37.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 75.4 110.204 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -144.64 -177.34 5.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.816 . . . . 44.33 109.59 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -114.65 147.83 39.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.978 -0.379 . . . . 73.04 109.978 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -114.2 99.74 7.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.699 0.761 . . . . 64.32 109.886 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -95.83 3.8 53.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.986 -1.007 . . . . 73.11 109.009 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -83.89 -37.82 21.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.936 -1.029 . . . . 60.14 109.365 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.44 141.71 58.23 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.691 -0.686 . . . . 72.33 109.991 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -82.14 105.68 13.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 41.4 111.928 -173.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.48 -147.74 22.43 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.989 -0.551 . . . . 63.52 112.998 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.0 -179.03 4.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.013 2.475 . . . . 71.22 111.704 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.419 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.9 m -75.56 90.2 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.708 -0.224 . . . . 72.15 110.537 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.58 66.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.068 0.461 . . . . 73.41 109.83 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -159.95 140.12 11.69 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.469 -0.787 . . . . 60.55 109.839 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.44 -50.77 64.56 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.603 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.57 -32.13 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.883 -0.599 . . . . 72.41 110.662 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -71.74 -51.84 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 71.33 110.097 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.59 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.811 -0.44 . . . . 72.21 109.811 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' GLY . . . -63.73 -51.09 66.5 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.705 -0.68 . . . . 72.35 110.141 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 26' ' ' THR . 31.1 t -55.26 -50.07 70.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 74.31 109.868 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.14 -55.74 14.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 CA-C-O 121.244 0.545 . . . . 62.4 110.741 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.1 t -60.19 -25.58 65.68 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.39 -0.823 . . . . 71.13 110.735 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.98 -25.07 21.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.538 -0.301 . . . . 75.43 111.614 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' SER . 31.5 p -78.89 -30.99 45.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.675 0.274 . . . . 74.13 110.33 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.06 -43.08 12.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.796 -0.362 . . . . 75.14 111.371 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -143.47 179.95 6.79 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.618 0.247 . . . . 75.44 110.384 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.19 91.96 4.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.125 0.488 . . . . 70.41 110.188 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.0 p -165.64 114.78 1.01 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.558 -0.746 . . . . 61.34 109.353 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.86 126.1 17.1 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.555 -0.748 . . . . 71.13 112.129 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ALA . . . -114.3 145.02 18.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.491 -0.861 . . . . 42.12 113.386 -170.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -151.61 -179.6 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.827 0.851 . . . . 71.04 109.005 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 40' ' ' ARG . 30.7 t -114.5 142.98 45.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.829 0.347 . . . . 61.24 110.817 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.01 105.96 0.45 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.745 -0.835 . . . . 63.53 108.745 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -80.16 0.67 Allowed Glycine 0 C--N 1.318 -0.472 0 CA-C-N 115.52 -0.764 . . . . 55.12 111.49 -173.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 27.9 t80 176.91 137.02 0.06 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.182 -0.673 . . . . 71.21 109.182 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HD2' ' O ' ' A' ' 14' ' ' CYS . 13.0 mmm180 72.96 -27.4 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.05 0.759 . . . . 72.2 113.05 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 28.0 mmt180 -66.53 -69.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.684 0.624 . . . . 73.43 112.684 -168.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 13.9 tpp180 -158.44 139.63 13.23 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 121.105 -0.238 . . . . 72.23 110.468 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.16 126.26 39.28 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.444 0.64 . . . . 74.34 112.272 -171.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -117.77 145.28 44.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.93 . . . . 62.53 109.723 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.66 140.38 48.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.67 0.271 . . . . 45.24 110.284 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -115.7 137.18 52.34 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.177 -0.465 . . . . 64.04 110.514 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -158.38 -179.58 8.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 63.21 109.291 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -101.23 100.2 10.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.073 0.464 . . . . 74.2 110.929 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.713 -0.676 . . . . 63.22 109.245 175.124 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.376 -0.231 . . . . 73.41 110.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.2 m -93.17 125.83 37.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.802 -0.444 . . . . 75.21 109.802 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 53.3 t -114.83 99.95 7.86 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.987 -0.746 . . . . 53.21 108.987 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 12.9 pt-20 -116.79 140.36 49.53 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 75.4 112.022 -175.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -117.24 -169.89 1.74 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.73 -1.123 . . . . 44.33 108.814 174.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -115.23 163.43 15.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.608 -0.515 . . . . 73.04 109.608 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 t -114.12 141.06 47.96 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.284 -0.635 . . . . 64.32 109.284 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -138.4 5.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 73.11 110.911 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -94.14 -33.46 13.32 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.738 -0.468 . . . . 60.14 109.738 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.07 137.44 57.98 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.847 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.94 124.68 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.838 -0.619 . . . . 41.4 110.614 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.94 139.8 9.49 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.287 -0.482 . . . . 63.52 112.549 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.38 86.34 0.82 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.323 2.015 . . . . 71.22 111.663 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.6 m 65.49 35.89 7.0 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.642 -0.708 . . . . 72.15 110.987 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.93 -42.89 63.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.933 -0.576 . . . . 73.41 111.215 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -148.04 125.43 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.846 -0.798 . . . . 60.55 108.846 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -64.42 -43.19 95.13 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.222 0.453 . . . . 74.24 112.222 -172.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -63.88 -49.69 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.442 0.639 . . . . 72.41 109.57 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.55 -46.1 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.963 -1.017 . . . . 71.33 109.947 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 t -53.31 -48.66 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.065 -0.971 . . . . 72.21 110.465 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.97 83.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.726 -0.67 . . . . 72.35 111.068 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 t -59.96 -53.82 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.608 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.55 -39.4 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 116.071 -0.513 . . . . 62.4 110.964 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 45.1 t -65.49 -38.99 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 71.13 110.365 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -70.76 -31.02 67.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.635 -0.257 . . . . 75.43 110.861 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -72.66 -35.7 67.78 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.919 -0.312 . . . . 74.13 110.646 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 8.8 pt-20 -74.79 -50.09 18.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.209 -0.597 . . . . 75.14 110.476 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 28.4 mmm180 -140.29 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.642 0.377 . . . . 75.44 110.07 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -63.79 92.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.47 0.652 . . . . 70.41 110.293 176.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.488 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 13.6 p -167.89 117.04 0.78 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.678 -1.146 . . . . 61.34 108.871 -177.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 138.5 49.12 Favored Glycine 0 C--O 1.221 -0.685 0 N-CA-C 111.238 -0.745 . . . . 71.13 111.238 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.1 128.83 8.43 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 119.659 -1.257 . . . . 42.12 113.496 -166.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -134.51 172.56 12.75 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.899 -0.778 . . . . 71.04 108.899 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -115.44 138.07 51.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.004 -0.369 . . . . 61.24 110.004 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.98 128.58 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.628 -0.879 . . . . 63.53 108.628 171.391 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.83 -72.55 0.52 Allowed Glycine 0 CA--C 1.518 0.266 0 O-C-N 123.34 0.4 . . . . 55.12 114.015 -173.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -71.81 -30.06 65.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.998 0.428 . . . . 71.21 110.69 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . 8.3 tpt180 -69.92 -28.25 65.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 72.2 109.899 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 47.84 63.69 1.92 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.483 -0.78 . . . . 73.43 110.927 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -159.11 147.3 17.9 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.65 -0.705 . . . . 72.23 110.139 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 m -73.83 113.8 11.4 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.394 -0.821 . . . . 74.34 111.943 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -119.54 138.11 53.39 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.495 -0.928 . . . . 62.53 108.495 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 61.8 m -122.13 149.4 43.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.251 -0.431 . . . . 45.24 110.991 -171.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 4' ' ' GLU . 40.3 p -114.47 143.7 44.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.17 0.51 . . . . 64.04 110.49 -175.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 13.6 t -142.37 -179.81 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.379 -0.828 . . . . 63.21 109.804 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -99.93 100.35 11.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.061 -0.518 . . . . 74.2 110.351 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 3' ' ' CYS . 81.2 m . . . . . 0 C--O 1.248 1.013 0 N-CA-C 109.299 -0.63 . . . . 63.22 109.299 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.558 0.218 . . . . 73.41 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.3 m -73.63 124.14 25.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.77 -0.456 . . . . 75.21 109.77 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -114.95 149.4 37.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.951 -0.568 . . . . 53.21 109.685 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.73 150.47 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.978 0.418 . . . . 75.4 110.055 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -152.7 -170.32 3.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 44.33 109.189 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 57.5 tt0 -135.37 157.43 46.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.76 -0.459 . . . . 73.04 109.76 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.4 t -114.52 119.44 36.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.464 0.65 . . . . 64.32 109.839 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -110.7 -3.3 15.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 73.11 109.653 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.39 -26.49 51.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.296 -0.865 . . . . 60.14 110.026 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -69.35 159.53 32.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.51 -0.768 . . . . 72.33 110.531 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -94.02 108.35 20.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.279 -0.418 . . . . 41.4 110.946 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.98 -157.6 48.79 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.382 -0.437 . . . . 63.52 112.518 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.44 -177.45 3.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.963 2.442 . . . . 71.22 111.843 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.28 88.76 0.08 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.051 -0.522 . . . . 72.15 110.751 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.86 -34.49 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.611 -0.722 . . . . 73.41 110.56 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 m -144.32 129.49 18.67 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.005 -0.543 . . . . 60.55 110.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.76 -57.73 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 74.24 110.997 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -57.0 -46.1 82.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.802 -0.636 . . . . 72.41 110.51 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.89 -52.96 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 71.33 110.502 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -45.8 90.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.148 0.499 . . . . 72.21 110.24 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.49 -45.34 94.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.471 -0.786 . . . . 72.35 110.662 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -61.87 -46.42 89.51 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.081 0.467 . . . . 74.31 110.319 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -57.85 -49.25 81.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 115.968 -0.56 . . . . 62.4 110.643 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 48.8 t -62.2 -43.64 98.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.301 -0.409 . . . . 71.13 110.631 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 99.6 mt-30 -65.12 -33.7 76.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.586 -0.279 . . . . 75.43 111.181 -178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -74.4 -41.93 60.09 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.548 -0.296 . . . . 74.13 110.863 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.58 -35.86 75.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.462 -0.495 . . . . 75.14 110.478 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.451 HH22 HG21 ' A' ' 45' ' ' THR . 73.0 ttp85 -172.71 122.27 0.42 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.533 0.333 . . . . 75.44 110.122 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -44.08 101.8 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.481 0.657 . . . . 70.41 112.19 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.8 m -158.74 117.12 2.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.638 -1.245 . . . . 61.34 107.638 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -48.8 147.57 5.33 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.818 -0.628 . . . . 71.13 112.148 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.53 118.32 4.34 Favored Glycine 0 C--O 1.235 0.193 0 C-N-CA 120.703 -0.761 . . . . 42.12 112.303 -172.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -124.54 154.98 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.11 -0.7 . . . . 71.04 109.11 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -114.98 107.97 16.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.005 0.431 . . . . 61.24 110.362 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -136.87 145.45 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.333 -0.618 . . . . 63.53 109.333 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.87 166.59 12.09 Favored Glycine 0 C--O 1.234 0.106 0 C-N-CA 121.245 -0.502 . . . . 55.12 111.987 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -54.42 -40.68 68.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.831 0.348 . . . . 71.21 111.325 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -109.73 21.74 16.55 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.362 -0.381 . . . . 72.2 110.194 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 56.78 78.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 73.43 110.547 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -82.53 156.99 23.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.0 -0.37 . . . . 72.23 110.0 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.5 109.9 18.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.953 -0.567 . . . . 74.34 109.955 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 68.3 m-85 -114.72 139.06 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.49 -0.559 . . . . 62.53 109.49 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 74.4 m -114.72 142.85 45.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.251 -0.431 . . . . 45.24 111.365 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -114.81 117.8 31.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.704 -0.68 . . . . 64.04 109.938 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.451 HG21 HH22 ' A' ' 28' ' ' ARG . 14.1 t -124.51 -179.8 4.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.143 -0.935 . . . . 63.21 109.323 -176.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -125.77 114.94 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.852 0.358 . . . . 74.2 110.912 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.255 -0.878 . . . . 63.22 109.77 178.382 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.494 ' NE ' ' HA ' ' A' ' 1' ' ' ARG . 4.6 mmp_? . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.734 0.302 . . . . 73.41 110.955 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.0 m -93.34 158.67 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.923 -0.769 . . . . 75.21 108.923 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.59 100.16 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.79 -0.818 . . . . 53.21 108.79 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.21 152.79 38.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.546 . . . . 75.4 110.73 -173.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -157.51 -169.85 3.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 44.33 109.849 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 45.9 tt0 -122.12 144.44 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.571 0.348 . . . . 73.04 110.21 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.0 p -114.68 135.19 54.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.945 0.402 . . . . 64.32 110.567 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -126.87 6.45 6.65 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.316 -0.402 . . . . 73.11 110.574 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.71 -33.31 74.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.077 -0.712 . . . . 60.14 109.077 174.072 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.98 143.64 51.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 114.838 -1.074 . . . . 72.33 110.588 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 38.3 ttmt -84.33 115.16 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 41.4 111.221 -174.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.1 -157.48 49.01 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.294 -0.866 . . . . 63.52 113.59 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.09 165.39 32.1 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.774 2.316 . . . . 71.22 111.854 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.5 85.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 72.15 111.671 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.14 64.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.219 0.533 . . . . 73.41 109.858 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -140.77 117.24 10.8 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.577 -0.738 . . . . 60.55 109.999 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.26 -35.67 76.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.43 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -66.23 -42.61 88.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.076 0.465 . . . . 72.41 109.94 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -66.21 -45.64 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 71.33 109.759 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.7 t -55.81 -42.6 75.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.589 -0.732 . . . . 72.21 110.252 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.74 -53.27 59.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.742 -0.663 . . . . 72.35 110.885 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -56.25 -47.43 78.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 74.31 110.626 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 55.0 t -57.72 -51.5 69.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 115.871 -0.604 . . . . 62.4 110.725 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 29' ' ' PHE . 44.3 t -59.41 -35.58 74.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.895 -0.593 . . . . 71.13 111.052 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 79.7 mt-30 -72.69 -32.53 65.85 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.213 -0.448 . . . . 75.43 111.005 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.1 p -73.92 -29.64 62.15 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.112 -0.329 . . . . 74.13 110.112 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 31.2 mt-10 -64.49 -78.13 0.05 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.293 -0.412 . . . . 75.14 110.75 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -153.86 -41.12 0.09 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.52 -0.309 . . . . 75.44 111.681 -175.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.739 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 51.6 m-85 -75.13 152.24 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 70.41 111.33 -168.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -84.64 -22.79 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 61.34 110.784 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.74 149.01 19.61 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.69 -0.564 . . . . 71.13 111.69 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.41 138.38 5.94 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.254 -0.738 . . . . 42.12 111.254 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.582 ' HG2' ' H ' ' A' ' 34' ' ' CYS . 48.5 ttp85 -165.25 -179.06 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.429 -0.582 . . . . 71.04 109.429 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.582 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 13.9 m -114.05 136.8 52.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.14 0.495 . . . . 61.24 110.27 -169.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.91 112.44 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.461 -0.79 . . . . 63.53 111.997 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.87 -114.11 0.28 Allowed Glycine 0 N--CA 1.463 0.45 0 CA-C-N 114.695 -1.139 . . . . 55.12 114.321 174.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.64 -2.13 28.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 71.21 110.851 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -66.35 -27.8 68.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.14 -0.482 . . . . 72.2 110.405 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 64.2 20.62 12.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.833 -0.622 . . . . 73.43 111.073 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -98.52 134.48 41.42 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.938 -0.574 . . . . 72.23 109.68 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -76.22 118.99 19.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.299 0.481 . . . . 74.34 112.299 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 67.1 m-85 -117.0 158.75 23.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.453 -0.794 . . . . 62.53 108.871 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -130.16 146.32 51.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.386 -0.37 . . . . 45.24 111.474 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.2 p -120.67 139.8 52.52 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.512 -0.767 . . . . 64.04 110.665 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.8 t -158.65 -179.69 8.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.713 -0.676 . . . . 63.21 109.249 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -115.54 129.96 56.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.748 0.308 . . . . 74.2 110.294 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.687 -0.486 . . . . 63.22 109.687 -179.267 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.572 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 1.5 mmp_? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.23 0.538 . . . . 73.41 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 m -140.4 145.03 36.53 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.562 -0.744 . . . . 75.21 109.857 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -114.94 142.03 47.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 53.21 110.062 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.3 OUTLIER -128.19 150.01 50.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 75.4 110.447 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -142.18 -177.01 5.03 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.309 -0.626 . . . . 44.33 109.309 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.677 ' NE2' ' HD2' ' A' ' 40' ' ' ARG . 51.4 tt0 -114.23 146.77 39.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.457 -0.571 . . . . 73.04 109.457 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.2 m -114.17 99.69 7.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.327 0.584 . . . . 64.32 110.103 -172.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -113.3 20.46 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.331 -0.85 . . . . 73.11 110.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -84.62 -28.08 26.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.364 -0.835 . . . . 60.14 109.149 172.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -68.13 142.94 55.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.989 -1.005 . . . . 72.33 109.795 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -76.82 111.23 12.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 41.4 110.775 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.45 174.02 29.78 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.045 -0.525 . . . . 63.52 112.512 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.71 43.0 1.27 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.227 2.618 . . . . 71.22 112.436 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t 64.0 108.34 0.03 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.265 0.555 . . . . 72.15 110.678 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . . . -93.48 -55.34 3.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 73.41 110.426 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -120.24 123.9 44.35 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.957 -0.565 . . . . 60.55 110.952 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 14.6 t70 -47.64 -58.87 3.75 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.211 -0.904 . . . . 74.24 111.168 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -55.14 -41.18 71.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.8 -0.636 . . . . 72.41 111.504 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -68.43 -46.83 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 71.33 111.068 -174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.74 -40.8 97.61 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.482 -0.562 . . . . 72.21 109.482 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.28 -49.16 78.71 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.31 -0.859 . . . . 72.35 110.674 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.1 t -61.92 -41.79 98.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.282 -177.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -56.73 -52.2 57.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.195 0.522 . . . . 62.4 110.235 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.84 -33.95 69.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.514 -0.766 . . . . 71.13 110.349 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -77.14 -30.63 55.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.798 -0.637 . . . . 75.43 111.521 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.7 p -77.16 -33.95 56.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.551 0.215 . . . . 74.13 110.947 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 10.7 pt-20 -77.33 -50.11 13.51 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.659 -0.416 . . . . 75.14 110.813 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 10.5 mtp180 -142.81 -174.17 4.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.952 0.406 . . . . 75.44 110.671 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.78 99.42 9.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.459 0.647 . . . . 70.41 109.94 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 43' ' ' CYS . 12.0 t -162.92 112.94 1.4 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.912 -1.04 . . . . 61.34 108.515 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.09 123.34 32.29 Favored Glycine 0 C--O 1.23 -0.142 0 CA-C-N 115.986 -0.552 . . . . 71.13 112.016 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.57 149.65 18.77 Favored Glycine 0 C--O 1.234 0.148 0 C-N-CA 120.831 -0.699 . . . . 42.12 112.955 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -145.06 169.0 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.154 0.581 . . . . 71.04 110.011 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 7.0 t -114.61 100.32 8.19 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.601 -0.518 . . . . 61.24 109.601 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -153.36 157.7 40.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.574 -0.739 . . . . 63.53 109.392 -173.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.33 -150.31 19.88 Favored Glycine 0 N--CA 1.452 -0.261 0 N-CA-C 111.647 -0.581 . . . . 55.12 111.647 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -63.72 -58.36 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.412 -0.588 . . . . 71.21 109.412 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -118.52 -60.72 1.75 Allowed 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.32 -0.855 . . . . 72.2 109.581 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' NH2' ' HA ' ' A' ' 15' ' ' ALA . 57.8 mtp180 -151.89 110.56 3.81 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.683 -0.69 . . . . 73.43 110.641 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.677 ' HD2' ' NE2' ' A' ' 6' ' ' GLN . 27.2 mtm180 -142.28 174.88 10.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.552 -0.749 . . . . 72.23 109.443 173.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.3 t -128.5 132.98 48.35 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.504 -0.554 . . . . 74.34 109.504 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.37 141.37 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.631 -0.259 . . . . 62.53 110.73 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.405 ' HB3' ' OG ' ' A' ' 30' ' ' SER . 77.8 m -115.79 150.01 37.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.22 -0.445 . . . . 45.24 110.282 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.435 HG22 ' HB3' ' A' ' 4' ' ' GLU . 31.5 p -132.55 130.08 39.88 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 116.301 -0.409 . . . . 64.04 111.327 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.7 t -142.48 165.06 28.44 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.804 -0.635 . . . . 63.21 109.479 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.48 139.35 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 74.2 111.527 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.165 -0.922 . . . . 63.22 109.434 173.117 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.812 0.339 . . . . 73.41 110.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.9 m -79.03 132.32 36.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.182 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -117.44 158.45 24.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.938 -0.393 . . . . 53.21 109.938 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.17 162.72 24.03 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.168 0.509 . . . . 75.4 110.807 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -143.89 175.74 9.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.325 -0.852 . . . . 44.33 109.061 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -114.57 145.3 42.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.709 -0.478 . . . . 73.04 109.709 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -114.66 107.91 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.178 0.513 . . . . 64.32 110.324 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -112.7 11.83 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.41 -0.814 . . . . 73.11 109.317 171.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -76.55 -42.8 41.64 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.197 -1.038 . . . . 60.14 108.197 172.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.5 130.93 48.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.514 -0.766 . . . . 72.33 109.648 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 8.7 mtpm? -121.29 140.6 51.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 41.4 110.589 -175.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.91 -158.69 14.16 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 116.128 -0.487 . . . . 63.52 112.361 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.73 115.4 3.84 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.752 2.302 . . . . 71.22 111.56 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 41' ' ' CYS . 16.0 t -80.23 68.67 6.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.407 0.623 . . . . 72.15 109.779 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.68 -40.51 5.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.378 -0.828 . . . . 73.41 109.517 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -79.7 81.55 5.94 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-O 121.556 0.693 . . . . 60.55 110.257 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -58.13 -35.69 71.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.323 -0.853 . . . . 74.24 110.565 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.4 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.464 -0.569 . . . . 72.41 109.464 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.82 -51.14 61.47 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 71.33 109.662 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -61.57 -37.81 85.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.039 -0.528 . . . . 72.21 110.161 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.31 -48.48 79.65 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.884 -0.598 . . . . 72.35 110.534 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -55.38 -50.84 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.052 -0.522 . . . . 74.31 109.685 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.03 -53.58 26.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 115.441 -0.8 . . . . 62.4 110.837 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.36 -35.51 74.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.866 -0.606 . . . . 71.13 110.548 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 77.7 mt-30 -77.32 -30.08 53.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.128 -0.487 . . . . 75.43 111.454 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -76.48 -29.18 56.76 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.89 0.376 . . . . 74.13 110.118 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.31 -61.25 2.0 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.027 -0.533 . . . . 75.14 111.577 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -129.85 178.9 6.18 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.151 0.501 . . . . 75.44 111.467 -174.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -93.1 88.63 6.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.635 0.731 . . . . 70.41 109.449 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 13.1 p -165.3 116.68 1.12 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.42 -1.264 . . . . 61.34 108.829 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 151.22 37.96 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.593 -0.731 . . . . 71.13 111.57 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.85 145.75 18.7 Favored Glycine 0 C--O 1.236 0.219 0 C-N-CA 120.648 -0.787 . . . . 42.12 112.989 -173.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -161.89 143.27 11.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.553 -0.536 . . . . 71.04 109.553 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 41' ' ' CYS . 40.8 t -114.61 122.89 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.429 -0.582 . . . . 61.24 109.429 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 18.4 tpt180 -82.13 127.14 32.84 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.012 0.434 . . . . 63.53 110.263 -174.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.23 65.73 4.02 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.69 -0.686 . . . . 55.12 114.406 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -92.6 -87.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.291 -1.003 . . . . 71.21 108.291 167.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -111.14 -56.33 2.38 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 108.601 -0.888 . . . . 72.2 108.601 167.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -177.59 110.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.611 -0.722 . . . . 73.43 109.937 172.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -159.3 120.71 3.31 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.582 -0.525 . . . . 72.23 109.582 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 21.8 t -91.92 152.21 20.16 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.866 -0.607 . . . . 74.34 110.591 -176.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -140.97 151.25 44.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.585 -0.734 . . . . 62.53 109.773 -177.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 92.8 m -124.76 137.18 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.041 -0.355 . . . . 45.24 110.041 178.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.82 140.82 48.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.848 0.356 . . . . 64.04 110.472 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -147.41 -179.98 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 63.21 110.212 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -112.12 118.26 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.282 0.233 . . . . 74.2 110.894 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.9 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.7 -0.666 . . . . 63.22 110.141 176.466 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.581 ' HG2' ' HB2' ' A' ' 47' ' ' CYS . 45.2 ttp180 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.224 0.535 . . . . 73.41 109.733 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.0 m -117.32 135.51 53.79 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.765 -0.652 . . . . 75.21 110.31 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 96.2 m -114.68 136.52 52.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.363 -0.38 . . . . 53.21 110.202 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.469 ' HB3' HG22 ' A' ' 44' ' ' THR . 13.5 pt-20 -114.91 108.87 17.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.744 0.783 . . . . 75.4 110.426 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -101.3 -169.47 1.7 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.954 -1.021 . . . . 44.33 109.547 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 59.8 tt0 -114.6 160.34 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.428 -0.582 . . . . 73.04 109.428 -178.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 m -114.19 124.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.965 0.412 . . . . 64.32 110.614 -174.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -127.67 3.24 6.11 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.871 -0.604 . . . . 73.11 110.844 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -85.67 -11.96 52.48 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 108.981 -0.748 . . . . 60.14 108.981 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.93 149.47 29.39 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 114.962 -1.017 . . . . 72.33 110.153 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -107.12 128.66 54.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 41.4 111.142 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.57 -170.37 54.15 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.905 -0.588 . . . . 63.52 113.124 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.34 176.77 9.2 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.757 2.305 . . . . 71.22 111.307 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.4 t -72.32 86.65 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 72.15 110.138 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.77 -29.82 70.38 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.821 -0.627 . . . . 73.41 110.321 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -173.09 136.53 0.65 Allowed 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.532 -0.758 . . . . 60.55 109.96 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -55.03 -37.34 66.54 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.979 -0.555 . . . . 74.24 109.872 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -67.74 -35.32 78.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.69 -0.686 . . . . 72.41 110.144 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -66.98 -44.04 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.152 -0.685 . . . . 71.33 109.152 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.88 -41.57 78.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.537 -0.756 . . . . 72.21 110.036 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.88 -57.54 12.59 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.963 -0.562 . . . . 72.35 110.671 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' THR . 23.2 t -54.16 -47.22 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 74.31 110.633 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.11 -51.73 69.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 116.106 -0.497 . . . . 62.4 110.79 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 13.3 t -64.17 -31.78 73.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.08 0.467 . . . . 71.13 110.627 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.25 -33.85 67.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.036 -0.529 . . . . 75.43 110.61 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' SER . 72.7 p -78.3 -22.66 47.84 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.939 -0.304 . . . . 74.13 110.644 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.61 -53.09 62.08 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.24 -0.281 . . . . 75.14 110.24 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HB3' ' H ' ' A' ' 29' ' ' PHE . 22.3 ttm180 -168.59 -91.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.59 -0.277 . . . . 75.44 110.678 174.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' H ' ' HB3' ' A' ' 28' ' ' ARG . 76.3 m-85 -147.78 86.51 1.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.317 -0.623 . . . . 70.41 109.317 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.668 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 31.2 m -159.92 116.66 2.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.747 -0.834 . . . . 61.34 108.747 -174.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.46 139.33 48.2 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 111.257 -0.737 . . . . 71.13 111.257 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.88 130.82 9.41 Favored Glycine 0 C--O 1.235 0.188 0 C-N-CA 120.541 -0.838 . . . . 42.12 112.307 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -144.07 179.64 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.491 -0.559 . . . . 71.04 109.491 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.1 m -130.32 134.04 46.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.957 -0.757 . . . . 61.24 108.957 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -116.78 14.85 15.34 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.296 0.569 . . . . 63.53 110.949 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -126.08 152.97 18.33 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 109.977 -1.249 . . . . 55.12 109.977 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -63.68 93.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.38 0.59 . . . . 71.21 110.429 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 64.86 23.05 12.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.484 -0.78 . . . . 72.2 109.99 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -149.2 163.95 36.16 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.442 -0.799 . . . . 73.43 110.149 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.506 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 24.9 ttt180 58.02 93.76 0.03 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.593 0.711 . . . . 72.23 112.26 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.72 137.28 32.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.108 -0.951 . . . . 74.34 110.423 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.506 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 45.6 m-85 -125.99 152.45 45.7 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.957 0.503 . . . . 62.53 110.407 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -121.47 138.96 54.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.516 . . . . 45.24 110.398 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.469 HG22 ' HB3' ' A' ' 4' ' ' GLU . 31.6 p -114.65 126.43 54.88 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.988 -0.551 . . . . 64.04 109.951 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -148.07 172.26 14.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.196 -0.456 . . . . 63.21 110.903 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -74.99 134.39 41.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 74.2 110.4 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB2' ' HG2' ' A' ' 1' ' ' ARG . 23.4 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.292 -0.861 . . . . 63.22 110.253 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 1' ' ' ARG . 11.4 ptp180 . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.728 0.299 . . . . 73.41 110.725 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.0 m -104.73 115.41 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.339 -0.615 . . . . 75.21 109.339 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.9 135.8 53.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.573 -0.285 . . . . 53.21 110.923 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 10.6 pt-20 -114.83 109.7 18.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.62 0.724 . . . . 75.4 110.362 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -96.71 -168.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.988 . . . . 44.33 109.537 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -114.44 148.81 37.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.785 -0.45 . . . . 73.04 109.785 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.9 t -114.34 119.68 37.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.55 0.69 . . . . 64.32 110.451 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -107.34 19.65 20.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 73.11 109.436 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 28.1 tptp -111.89 -15.2 13.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.622 -0.717 . . . . 60.14 110.288 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.39 165.99 21.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.759 -0.655 . . . . 72.33 110.569 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -86.27 104.47 15.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.123 -0.489 . . . . 41.4 111.368 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.85 -148.38 39.75 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.974 -0.557 . . . . 63.52 113.173 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 12.8 Cg_exo -69.97 -69.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.692 2.261 . . . . 71.22 111.861 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 9.2 t -153.51 172.07 17.73 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.441 -1.254 . . . . 72.15 110.261 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.604 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -151.97 -40.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.95 -0.759 . . . . 73.41 108.95 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -177.07 145.15 0.46 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.04 -0.982 . . . . 60.55 109.076 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -57.99 -35.12 70.77 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.017 -0.734 . . . . 74.24 109.017 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -58.87 -50.69 73.07 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 114.933 -1.03 . . . . 72.41 110.339 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.23 -48.75 76.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.35 -0.841 . . . . 71.33 110.396 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.2 m -58.04 -39.31 78.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 72.21 110.917 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -57.72 11.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 72.35 110.328 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.1 t -51.84 -56.24 15.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.64 -0.709 . . . . 74.31 111.047 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 90.5 t -58.41 -53.97 39.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 62.4 110.98 -177.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -60.95 -36.58 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.607 -0.269 . . . . 71.13 110.511 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -70.94 -34.19 71.24 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.713 0.292 . . . . 75.43 110.974 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -74.6 -27.85 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.481 . . . . 74.13 110.472 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 76.6 mm-40 -79.24 -38.71 34.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.312 177.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -167.06 159.26 12.97 Favored 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 109.921 -0.4 . . . . 75.44 109.921 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.96 84.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 70.41 110.046 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -163.44 117.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.132 -0.94 . . . . 61.34 108.634 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.25 177.99 6.71 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.779 -0.528 . . . . 71.13 111.779 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.07 163.53 25.07 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.543 -0.837 . . . . 42.12 113.174 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -165.18 170.85 14.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.196 0.599 . . . . 71.04 109.732 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.99 120.36 39.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.582 -0.896 . . . . 61.24 108.582 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 23.7 tpt180 -136.8 159.08 42.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.372 -0.377 . . . . 63.53 110.436 -170.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 162.03 36.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.191 -0.528 . . . . 55.12 112.659 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -65.37 -29.7 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 71.21 110.415 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -76.7 -11.83 59.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.451 -0.795 . . . . 72.2 110.696 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? 57.41 63.22 1.92 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.619 -0.511 . . . . 73.43 109.619 -171.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -99.5 160.97 13.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.135 -0.32 . . . . 72.23 110.135 -178.364 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.1 t -82.47 114.85 21.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.082 -0.508 . . . . 74.34 111.111 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 28.1 m-85 -114.82 154.91 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.727 -0.67 . . . . 62.53 109.813 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 67.1 m -114.9 142.66 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 45.24 110.698 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.9 p -114.73 116.24 28.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 64.04 110.417 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -131.27 -179.93 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 63.21 110.205 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -102.51 128.89 48.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.939 0.4 . . . . 74.2 111.228 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.7 -0.666 . . . . 63.22 109.364 172.415 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.992 0.425 . . . . 73.41 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 m -108.41 130.6 55.23 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.651 -0.704 . . . . 75.21 110.126 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.85 154.38 28.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 53.21 109.732 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 11.0 tt0 -114.73 152.82 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.863 -0.421 . . . . 75.4 109.863 -175.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -143.14 171.54 13.94 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.602 -0.888 . . . . 44.33 108.602 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -114.78 137.35 52.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 73.04 110.223 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 p -114.49 99.68 7.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 64.32 110.28 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -86.63 1.3 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.797 -0.638 . . . . 73.11 109.648 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.41 -35.42 80.87 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.83 -0.804 . . . . 60.14 108.83 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -82.29 115.79 21.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.076 -0.966 . . . . 72.33 108.91 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.17 116.24 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.297 0.57 . . . . 41.4 111.867 -172.649 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.4 -151.69 19.97 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.847 -0.615 . . . . 63.52 113.145 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -84.3 164.92 12.85 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.219 2.613 . . . . 71.22 111.588 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.97 77.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 72.15 110.0 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.09 67.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.601 -0.727 . . . . 73.41 111.303 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -146.73 134.4 21.07 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 116.28 -0.418 . . . . 60.55 110.564 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -54.37 47.3 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.218 -0.901 . . . . 74.24 110.234 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -52.46 -45.31 66.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.406 -0.815 . . . . 72.41 110.659 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -63.63 -56.72 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 71.33 111.088 -176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.53 -51.48 66.92 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.206 0.527 . . . . 72.21 110.217 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -57.17 -53.89 52.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.291 -0.868 . . . . 72.35 111.252 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.51 -44.66 93.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.12 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -58.89 -50.05 80.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.944 -0.391 . . . . 62.4 109.944 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.6 t -58.32 -46.74 85.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.958 -0.565 . . . . 71.13 110.942 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.7 mt-30 -63.73 -32.9 74.54 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.729 0.3 . . . . 75.43 111.06 -176.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 p -76.38 -35.23 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 74.13 110.975 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 10.1 pt-20 -77.28 -28.55 53.48 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.873 -0.331 . . . . 75.14 111.182 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 1.7 tpm_? -171.81 143.16 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.398 0.279 . . . . 75.44 110.453 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.43 98.91 0.07 Allowed 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.923 0.868 . . . . 70.41 110.325 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.737 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 75.8 m -167.4 120.4 0.94 Allowed 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 113.464 -1.698 . . . . 61.34 108.627 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 178.89 1.01 Allowed Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.874 -0.603 . . . . 71.13 112.341 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.48 146.22 18.69 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.944 -0.646 . . . . 42.12 112.538 -173.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -148.95 155.13 40.38 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.689 0.395 . . . . 71.04 110.201 -174.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -114.79 111.7 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.524 -0.547 . . . . 61.24 109.524 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -139.27 141.01 37.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.602 -0.518 . . . . 63.53 109.602 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.39 166.33 12.89 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.515 -0.634 . . . . 55.12 111.515 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -65.4 -39.92 92.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.35 . . . . 71.21 110.852 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -98.7 16.05 23.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.981 0.42 . . . . 72.2 110.115 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 4.3 mpt_? 56.22 77.62 0.24 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.697 -0.683 . . . . 73.43 111.06 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -85.81 152.43 23.02 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.378 -0.601 . . . . 72.23 109.378 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.8 t -70.72 112.77 7.2 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 123.446 0.466 . . . . 74.34 109.971 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -114.76 171.01 7.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.63 . . . . 62.53 109.438 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.737 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 78.6 m -130.53 145.69 51.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.817 -0.628 . . . . 45.24 110.783 -173.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -114.77 113.26 24.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.176 0.512 . . . . 64.04 110.119 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -118.74 167.57 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.58 -0.737 . . . . 63.21 110.06 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -101.16 126.1 47.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.353 -0.24 . . . . 74.2 110.353 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.966 -0.54 . . . . 63.22 109.829 175.744 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.677 0.275 . . . . 73.41 110.277 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 m -98.43 121.65 40.64 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.996 -0.372 . . . . 75.21 109.996 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 m -114.81 136.69 52.8 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 109.956 -0.387 . . . . 53.21 109.956 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 38.5 tt0 -114.84 130.96 56.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.267 -0.879 . . . . 75.4 109.978 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -129.35 -170.54 2.3 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.162 -1.051 . . . . 44.33 108.162 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 8.5 tt0 -114.63 153.37 30.29 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.672 -0.492 . . . . 73.04 109.672 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.3 p -114.66 100.09 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.265 0.555 . . . . 64.32 110.569 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.56 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 27.2 p-80 -88.01 -7.08 57.57 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.088 -0.505 . . . . 73.11 110.794 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' HG2' ' CD ' ' A' ' 27' ' ' GLU . 23.1 tptm -70.98 -20.5 62.42 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.235 -0.654 . . . . 60.14 109.235 174.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -91.14 108.67 20.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.225 -0.898 . . . . 72.33 109.794 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.35 105.42 9.59 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 110.205 -0.295 . . . . 41.4 110.205 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.75 178.54 15.45 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.401 -0.428 . . . . 63.52 112.876 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -81.84 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.025 2.483 . . . . 71.22 111.992 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.84 ' SG ' ' HG3' ' A' ' 39' ' ' ARG . 28.4 p -74.29 74.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.144 0.497 . . . . 72.15 110.142 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.95 62.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 73.41 110.639 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -149.92 124.86 9.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 60.55 109.858 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.96 -56.77 17.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.474 -0.33 . . . . 74.24 111.132 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -53.65 -43.03 68.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.24 -0.437 . . . . 72.41 110.41 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.32 -49.78 72.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 71.33 110.547 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.37 -46.7 83.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.646 -0.706 . . . . 72.21 110.225 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.8 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 72.35 110.757 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 26' ' ' THR . 16.0 t -59.6 -47.98 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.975 -0.557 . . . . 74.31 110.372 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.1 -48.31 86.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.372 0.606 . . . . 62.4 110.601 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 34.3 t -56.9 -34.08 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 71.13 110.019 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.5 mt-30 -84.74 -20.19 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.103 -0.498 . . . . 75.43 111.954 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 22' ' ' SER . 76.6 p -70.95 -27.95 64.12 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.492 -0.929 . . . . 74.13 108.492 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' CD ' ' HG2' ' A' ' 9' ' ' LYS . 38.7 mm-40 -71.21 -73.0 0.19 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.406 -0.815 . . . . 75.14 109.666 169.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 56.6 mtp85 -151.28 159.01 44.57 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.136 -0.69 . . . . 75.44 109.136 174.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.42 101.95 0.07 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.148 0.499 . . . . 70.41 111.058 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.471 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 53.9 m -158.4 115.22 2.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.604 -0.887 . . . . 61.34 108.604 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.08 154.54 10.11 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.854 -0.612 . . . . 71.13 112.315 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.03 113.27 2.91 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.91 -0.662 . . . . 42.12 112.587 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 33' ' ' ARG . 12.1 mmm180 -122.91 177.5 5.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 71.04 110.338 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 t -122.6 132.14 54.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.194 -0.457 . . . . 61.24 109.868 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.9 tpp180 -144.37 160.22 41.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 110.124 -0.325 . . . . 63.53 110.124 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.99 157.82 33.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.147 -0.549 . . . . 55.12 112.504 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -72.45 -18.19 61.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.096 0.474 . . . . 71.21 110.361 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -93.19 7.76 42.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.571 -0.741 . . . . 72.2 110.412 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.84 ' HG3' ' SG ' ' A' ' 14' ' ' CYS . 2.6 tpp180 60.58 42.95 13.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.697 -0.683 . . . . 73.43 110.65 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.56 ' NH2' ' HA ' ' A' ' 8' ' ' HIS . 18.1 tpt180 -83.83 151.01 25.38 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.59 -0.732 . . . . 72.23 111.346 -173.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 117.23 17.7 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.21 0.528 . . . . 74.34 111.74 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 10.0 m-85 -115.19 147.0 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.37 -0.832 . . . . 62.53 109.169 174.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 96.7 m -114.75 141.57 47.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.741 0.305 . . . . 45.24 110.777 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.6 p -114.56 115.43 27.18 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.331 -0.618 . . . . 64.04 109.331 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -122.85 169.01 11.55 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.825 0.345 . . . . 63.21 110.735 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -74.7 107.02 6.54 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.806 -0.634 . . . . 74.2 109.547 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.016 -0.993 . . . . 63.22 110.258 -171.736 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.722 0.296 . . . . 73.41 111.42 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -88.81 131.35 35.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.427 -0.582 . . . . 75.21 109.427 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -114.39 134.39 55.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.43 -0.35 . . . . 53.21 110.297 -174.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HB3' HG22 ' A' ' 44' ' ' THR . 12.8 pt-20 -114.52 158.41 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.291 0.567 . . . . 75.4 110.768 -178.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -145.78 -176.61 5.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.203 -1.036 . . . . 44.33 108.203 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -113.91 135.74 53.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.267 -0.642 . . . . 73.04 109.267 -173.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -114.63 100.01 7.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.382 0.611 . . . . 64.32 111.464 -167.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -98.51 10.72 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.377 -0.971 . . . . 73.11 108.377 168.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -64.14 -40.27 95.79 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.93 -1.032 . . . . 60.14 109.36 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.38 115.31 8.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.472 -0.936 . . . . 72.33 108.472 171.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -59.68 98.64 0.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.194 0.521 . . . . 41.4 111.476 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.61 -171.81 21.41 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.664 -0.698 . . . . 63.52 112.381 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.84 150.41 73.62 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.316 2.011 . . . . 71.22 111.191 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.37 100.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 72.15 111.199 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.37 84.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.365 -0.38 . . . . 73.41 110.746 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -152.79 130.18 11.35 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.883 -0.599 . . . . 60.55 110.307 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -52.7 -56.62 14.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.328 -0.851 . . . . 74.24 111.337 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -55.09 -33.58 62.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.083 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -72.64 -53.22 12.41 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.76 -0.654 . . . . 71.33 109.967 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -61.07 -34.51 75.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.09 0.471 . . . . 72.21 109.861 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -63.55 -52.47 60.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.591 -0.732 . . . . 72.35 110.141 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -55.44 -47.34 76.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 74.31 110.359 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -57.16 -48.65 81.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.724 -0.671 . . . . 62.4 110.958 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.16 -34.79 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 71.13 110.6 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.1 mt-30 -76.68 -30.22 56.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.058 -0.519 . . . . 75.43 110.911 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -76.08 -39.91 54.27 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.672 -0.24 . . . . 74.13 111.145 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.53 -44.41 71.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.437 -0.505 . . . . 75.14 111.362 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG3' ' H ' ' A' ' 29' ' ' PHE . 21.8 tpt180 -156.39 176.23 12.97 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.501 0.191 . . . . 75.44 111.118 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' H ' ' HG3' ' A' ' 28' ' ' ARG . 38.9 t80 -73.27 102.16 3.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.707 0.765 . . . . 70.41 110.153 172.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 p -177.03 114.79 0.1 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.97 -1.468 . . . . 61.34 110.029 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.29 145.29 38.96 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.865 -0.894 . . . . 71.13 110.865 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.533 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.53 148.89 18.85 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.514 -0.851 . . . . 42.12 112.759 -174.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -158.69 143.42 15.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.654 -0.869 . . . . 71.04 108.654 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.7 m -114.19 132.54 56.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.685 -0.487 . . . . 61.24 109.685 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 108.83 1.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.483 -0.562 . . . . 63.53 109.483 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.45 -103.85 1.78 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.956 -0.858 . . . . 55.12 110.956 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -132.63 -68.12 0.62 Allowed 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 122.546 0.338 . . . . 71.21 110.541 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -135.49 88.76 2.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.429 0.633 . . . . 72.2 111.85 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 10.3 ptp85 -149.95 -45.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.364 -0.834 . . . . 73.43 109.719 172.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 14.3 tpp180 -159.55 140.6 12.61 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.03 -0.532 . . . . 72.23 109.64 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.4 t -103.92 148.3 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.714 -0.476 . . . . 74.34 109.714 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -134.75 155.32 50.78 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.427 0.454 . . . . 62.53 110.297 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -124.69 149.87 46.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 45.24 110.356 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 4' ' ' GLU . 24.1 p -131.51 130.21 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 64.04 110.402 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -131.1 178.86 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.031 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -97.19 128.49 44.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 74.2 111.024 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.782 -0.628 . . . . 63.22 109.962 173.898 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.134 -0.321 . . . . 73.41 110.134 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 m -103.55 128.85 50.71 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.393 -0.595 . . . . 75.21 109.393 173.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m -128.9 144.49 51.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 53.21 110.973 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 124.77 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.597 -0.729 . . . . 75.4 110.166 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -112.96 -176.19 2.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.236 -0.653 . . . . 44.33 109.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -117.83 141.95 47.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.819 0.342 . . . . 73.04 110.22 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 p -114.74 108.82 17.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.929 -0.578 . . . . 64.32 110.176 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -104.14 -3.24 24.7 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.695 -0.684 . . . . 73.11 109.631 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -66.38 -28.15 68.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.593 -0.73 . . . . 60.14 111.163 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.2 102.38 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.164 -0.68 . . . . 72.33 109.164 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -75.98 142.29 41.96 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.854 -0.612 . . . . 41.4 111.35 -172.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.15 -158.13 25.46 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 116.141 -0.481 . . . . 63.52 112.233 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -87.25 177.98 3.66 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.235 2.624 . . . . 71.22 111.416 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.9 t -75.19 75.42 2.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 72.15 109.351 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.34 83.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.579 -0.737 . . . . 73.41 111.291 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.1 t -160.04 130.36 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.172 -0.467 . . . . 60.55 110.284 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -63.16 -40.16 96.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.492 . . . . 74.24 110.074 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -64.49 -37.55 87.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.508 -0.769 . . . . 72.41 109.743 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -75.46 -38.31 59.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.652 -0.704 . . . . 71.33 110.747 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.3 t -55.89 -48.29 75.88 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 109.546 -0.538 . . . . 72.21 109.546 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 32' ' ' GLY . . . -61.31 -47.48 85.74 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.507 -0.77 . . . . 72.35 110.681 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 t -55.17 -53.48 55.44 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.797 -0.638 . . . . 74.31 110.723 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.94 -52.96 48.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.943 -0.572 . . . . 62.4 110.57 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -56.13 -41.49 75.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 71.13 110.561 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -72.47 -36.58 68.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.553 -0.294 . . . . 75.43 111.462 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -67.97 -27.48 66.63 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.926 0.393 . . . . 74.13 110.22 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -75.25 -53.71 8.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.077 -0.511 . . . . 75.14 110.371 173.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.4 148.52 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 75.44 109.825 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.32 102.93 0.34 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.561 0.696 . . . . 70.41 109.842 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 49.8 m -162.98 113.18 1.4 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.397 -1.274 . . . . 61.34 109.492 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.08 117.51 10.46 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 111.283 -0.727 . . . . 71.13 111.283 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -114.37 132.03 10.23 Favored Glycine 0 C--N 1.328 0.128 0 C-N-CA 120.525 -0.845 . . . . 42.12 113.169 -168.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 2.8 mmp_? -120.53 176.07 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.578 -0.527 . . . . 71.04 109.578 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 t -114.75 149.13 37.38 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.985 0.422 . . . . 61.24 110.449 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.777 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 4.4 tpm_? -123.38 120.89 34.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 63.53 109.497 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 37' ' ' PHE . . . 71.93 -106.47 1.93 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.456 -0.658 . . . . 55.12 111.456 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 57.0 t80 176.93 -35.71 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.83 0.348 . . . . 71.21 110.401 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -52.35 -53.9 38.71 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.865 -0.607 . . . . 72.2 111.314 -175.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 178.61 84.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 110.132 -0.321 . . . . 73.43 110.132 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.777 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -159.24 130.59 6.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.462 -0.336 . . . . 72.23 110.494 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.07 137.17 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 74.34 109.79 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -129.57 133.13 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.391 -0.368 . . . . 62.53 110.092 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 79.2 m -115.02 144.21 43.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.112 -0.494 . . . . 45.24 110.63 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -120.7 135.67 55.07 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.295 -0.411 . . . . 64.04 110.112 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -147.09 170.16 17.74 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.959 -0.564 . . . . 63.21 110.468 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -82.76 110.09 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.829 -0.623 . . . . 74.2 109.972 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.247 0.961 0 N-CA-C 108.965 -0.754 . . . . 63.22 108.965 175.353 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 1' ' ' ARG . 19.2 ptt-85 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.488 -0.19 . . . . 73.41 110.488 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -97.1 133.84 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.321 -0.622 . . . . 75.21 109.321 172.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -114.48 109.0 17.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.732 -0.47 . . . . 53.21 109.732 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -125.18 125.48 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.392 0.615 . . . . 75.4 110.832 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -104.91 177.01 4.97 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.027 -0.988 . . . . 44.33 108.414 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -114.45 135.54 53.99 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.811 -0.811 . . . . 73.04 108.811 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.407 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 23.1 t -114.56 99.51 7.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.525 0.678 . . . . 64.32 110.291 -175.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -96.19 9.79 39.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 73.11 108.933 172.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.03 -0.986 . . . . 60.14 108.913 168.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -73.82 154.28 39.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.104 -0.953 . . . . 72.33 109.169 172.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -77.4 80.56 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.129 0.49 . . . . 41.4 111.484 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.67 -134.99 14.81 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 115.503 -0.771 . . . . 63.52 113.074 175.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.25 166.09 29.37 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.24 2.627 . . . . 71.22 112.304 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 44.5 t -73.81 86.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 72.15 110.752 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -16.25 61.51 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.888 -0.596 . . . . 73.41 110.472 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.5 t -164.26 119.46 1.51 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.431 -0.804 . . . . 60.55 109.952 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 4.9 p-10 -62.48 -39.61 94.01 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.105 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -62.74 -42.41 99.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 72.41 110.199 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -68.59 -48.98 62.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.875 -0.602 . . . . 71.33 110.01 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.44 -49.27 55.44 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.271 0.558 . . . . 72.21 110.21 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -58.99 -54.91 41.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.333 -0.849 . . . . 72.35 111.238 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 26' ' ' THR . 12.4 t -56.64 -42.75 79.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 74.31 110.922 -175.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 64.6 t -60.69 -55.45 24.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.025 0.44 . . . . 62.4 110.406 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.7 -31.65 70.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.081 -0.509 . . . . 71.13 110.781 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -74.96 -33.89 61.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.491 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 22' ' ' SER . 29.7 p -75.21 -33.92 61.44 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.088 -0.245 . . . . 74.13 110.547 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 45.7 mt-10 -63.08 -48.73 77.37 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 110.122 -0.325 . . . . 75.14 110.122 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 28' ' ' ARG . 17.1 mtp180 -164.9 177.21 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.63 0.772 . . . . 75.44 109.806 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -69.05 101.56 1.44 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 122.06 0.933 . . . . 70.41 109.919 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -163.6 115.1 1.41 Allowed 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 113.869 -1.514 . . . . 61.34 108.364 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.69 168.44 13.3 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.106 -0.569 . . . . 71.13 112.077 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.74 153.92 17.32 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.953 -0.641 . . . . 42.12 112.087 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -151.82 159.25 43.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.694 -0.484 . . . . 71.04 109.694 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 83.1 m -137.54 100.23 4.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.511 -0.922 . . . . 61.24 108.511 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 71.6 ttt180 -92.42 152.2 19.84 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.468 -0.787 . . . . 63.53 111.603 -168.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.02 66.45 2.16 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.317 -0.856 . . . . 55.12 112.099 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.0 t80 64.35 35.79 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.83 0.824 . . . . 71.21 109.474 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 15.1 mmt180 63.52 20.46 12.26 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.292 -0.867 . . . . 72.2 111.86 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -71.81 -48.51 45.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.449 0.537 . . . . 73.43 112.449 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.1 tpp180 -121.42 142.87 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 122.113 -0.367 . . . . 72.23 111.93 -171.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 13.5 t -78.99 128.65 33.54 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.752 -0.658 . . . . 74.34 111.273 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 45.6 m-85 -129.13 160.57 32.43 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.94 0.896 . . . . 62.53 109.066 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -115.46 134.44 55.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.958 -0.386 . . . . 45.24 109.958 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -114.65 132.65 56.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.628 0.251 . . . . 64.04 110.77 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -156.12 -179.96 8.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.746 -0.464 . . . . 63.21 109.746 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -106.9 109.56 21.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.561 -0.533 . . . . 74.2 109.561 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 118.444 -0.789 . . . . 63.22 109.954 179.577 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.832 0.349 . . . . 73.41 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.9 m -82.86 130.7 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 75.21 110.385 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.7 m -114.64 135.62 53.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.355 -0.609 . . . . 53.21 109.355 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -114.74 123.42 49.2 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.347 0.594 . . . . 75.4 111.188 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 p -105.61 176.02 5.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.33 -0.85 . . . . 44.33 109.255 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -114.72 154.4 28.55 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.712 -0.847 . . . . 73.04 108.712 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -114.68 99.7 7.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.5 0.667 . . . . 64.32 110.008 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -87.42 -5.4 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.082 -1.081 . . . . 73.11 108.082 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.62 -47.91 82.78 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.688 -1.142 . . . . 60.14 108.87 172.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -69.77 130.74 43.15 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.849 -1.069 . . . . 72.33 109.235 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -102.46 102.5 12.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.279 -0.419 . . . . 41.4 111.25 -172.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.97 -172.45 15.79 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.633 -0.712 . . . . 63.52 112.018 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.02 146.81 37.58 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 71.22 110.676 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.698 ' SG ' ' HB3' ' A' ' 39' ' ' ARG . 29.1 p -70.47 78.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.198 0.523 . . . . 72.15 110.35 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.65 66.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.703 -0.68 . . . . 73.41 111.125 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -126.36 114.84 18.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.208 -0.451 . . . . 60.55 110.186 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -58.0 -51.97 67.46 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.913 -0.585 . . . . 74.24 111.409 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -58.6 -42.35 87.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.841 0.353 . . . . 72.41 110.686 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 23' ' ' VAL . 25.5 t-20 -62.83 -58.82 6.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.639 -0.709 . . . . 71.33 110.635 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -52.37 -49.16 64.95 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.101 -0.499 . . . . 72.21 110.927 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.95 -55.42 30.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.43 -0.805 . . . . 72.35 110.486 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.8 t -57.65 -41.81 82.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.31 110.735 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 19' ' ' ASN . 54.9 t -56.12 -46.79 81.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.379 -0.373 . . . . 62.4 110.325 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 30' ' ' SER . 43.0 t -60.9 -46.79 89.23 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.175 -0.466 . . . . 71.13 110.566 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.35 -31.08 71.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.631 -0.258 . . . . 75.43 111.532 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.3 p -83.08 -27.41 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.578 0.228 . . . . 74.13 111.221 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -77.23 -39.67 47.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.498 -0.319 . . . . 75.14 110.63 -178.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.541 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 4.8 mmp_? -157.18 -171.86 3.79 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.092 0.472 . . . . 75.44 110.909 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.3 83.58 3.89 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.109 -0.7 . . . . 70.41 109.109 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 55.5 m -161.92 119.38 2.18 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.317 -1.31 . . . . 61.34 108.258 -175.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.17 138.43 47.71 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.742 -0.663 . . . . 71.13 111.636 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.18 11.57 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.933 -0.651 . . . . 42.12 112.901 -173.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.26 -179.38 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.561 0.744 . . . . 71.04 109.514 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 70.9 m -114.06 130.3 56.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 61.24 110.179 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -139.27 131.23 27.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.831 -0.803 . . . . 63.53 108.831 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.446 ' N ' ' HD3' ' A' ' 35' ' ' ARG . . . 117.01 162.34 12.62 Favored Glycine 0 C--N 1.33 0.212 0 N-CA-C 111.875 -0.49 . . . . 55.12 111.875 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -68.57 -30.98 69.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.328 0.585 . . . . 71.21 110.358 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 12.8 tpt180 -89.7 5.84 44.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 72.2 110.74 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.698 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.9 mtp180 54.73 65.76 1.42 Allowed 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.348 0.594 . . . . 73.43 110.717 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -83.82 133.49 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.397 -0.82 . . . . 72.23 109.095 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.627 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 58.9 m -67.13 116.54 8.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 74.34 110.96 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -116.03 147.01 41.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 62.53 109.809 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.2 m -115.31 152.55 32.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.593 . . . . 45.24 110.581 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -135.04 128.16 31.77 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.184 -0.462 . . . . 64.04 110.614 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -136.63 -179.89 5.96 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.614 -0.721 . . . . 63.21 109.753 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -103.9 138.92 39.78 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.784 -0.189 . . . . 74.2 110.514 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.067 -0.492 . . . . 63.22 110.12 176.165 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 110.172 -0.307 . . . . 73.41 110.172 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.6 m -106.63 145.17 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.88 0.371 . . . . 75.21 110.189 176.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HB2' HG23 ' A' ' 45' ' ' THR . 35.2 m -114.76 114.02 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.252 -0.647 . . . . 53.21 109.252 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -114.71 127.84 55.98 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.158 0.504 . . . . 75.4 109.968 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 m -125.26 178.28 5.67 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.387 -0.968 . . . . 44.33 108.387 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -114.28 152.51 31.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.877 -0.786 . . . . 73.04 108.877 -176.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.477 ' OG ' ' SG ' ' A' ' 43' ' ' CYS . 2.1 m -113.75 99.55 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.262 0.553 . . . . 64.32 110.314 -172.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -93.5 3.04 56.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.429 -0.805 . . . . 73.11 109.672 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.21 -32.51 63.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.569 -0.742 . . . . 60.14 109.387 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -78.72 118.11 20.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.827 -0.805 . . . . 72.33 108.827 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -86.9 113.71 22.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.132 0.491 . . . . 41.4 110.617 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.55 175.38 37.11 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.273 -0.876 . . . . 63.52 112.136 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.32 164.46 35.57 Favored 'Trans proline' 0 C--O 1.239 0.546 0 C-N-CA 122.508 2.139 . . . . 71.22 111.764 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 95.3 m -60.69 93.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 72.15 111.829 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -29.48 69.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.77 -0.65 . . . . 73.41 109.382 169.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -148.35 123.67 10.27 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.212 -0.904 . . . . 60.55 110.134 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.68 -33.12 71.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.28 -0.418 . . . . 74.24 110.104 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.34 -52.18 59.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.664 -0.698 . . . . 72.41 110.086 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.54 -47.64 84.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.39 -0.823 . . . . 71.33 110.052 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -58.32 -50.3 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 72.21 110.795 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.552 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.59 -44.89 95.72 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.463 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -57.68 -39.58 77.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 74.31 109.947 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 t -63.15 -46.81 94.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.538 -0.755 . . . . 62.4 110.877 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.75 -42.17 71.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.91 0.386 . . . . 71.13 110.297 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 92.5 mt-30 -65.45 -43.01 91.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.824 -0.626 . . . . 75.43 111.199 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -68.23 -31.47 71.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 74.13 110.952 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.05 -66.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 75.14 110.264 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -155.21 -173.99 4.79 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.438 0.295 . . . . 75.44 110.383 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -72.1 85.41 1.02 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.729 0.776 . . . . 70.41 109.821 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.8 m -158.75 117.05 2.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.642 -1.163 . . . . 61.34 108.326 -174.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.23 172.33 4.59 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.427 -0.669 . . . . 71.13 111.427 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -127.94 149.68 18.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.43 -0.89 . . . . 42.12 112.663 -177.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -156.39 148.84 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.624 -0.51 . . . . 71.04 109.624 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.83 110.93 20.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.992 -0.744 . . . . 61.24 108.992 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.644 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 5.2 ppt_? -132.54 133.0 43.19 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.504 0.669 . . . . 63.53 111.165 -173.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.99 155.0 9.3 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 110.521 -1.032 . . . . 55.12 110.521 -173.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -68.26 -24.03 64.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.203 0.525 . . . . 71.21 110.729 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -83.94 -0.53 51.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.634 . . . . 72.2 110.53 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.616 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 56.42 70.07 0.68 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.649 -0.501 . . . . 73.43 109.649 -172.408 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -93.88 133.31 37.43 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.011 -0.54 . . . . 72.23 110.702 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.583 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.5 m -72.94 124.7 25.96 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.58 -0.737 . . . . 74.34 112.239 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 88.5 m-85 -128.47 144.63 51.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.168 -0.924 . . . . 62.53 109.244 173.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.477 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 36.6 m -114.67 134.62 54.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.966 -0.753 . . . . 45.24 108.966 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -114.73 116.05 28.03 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.265 0.555 . . . . 64.04 111.681 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 3' ' ' CYS . 8.2 t -121.67 -179.84 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.763 -0.829 . . . . 63.21 108.763 174.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -117.57 16.49 14.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.646 0.26 . . . . 74.2 110.63 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.395 -0.821 . . . . 63.22 111.456 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.924 -0.399 . . . . 73.41 109.924 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.9 m -147.92 147.54 29.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 75.21 110.756 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -129.24 127.03 40.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.55 -0.537 . . . . 53.21 109.55 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.636 ' HB3' HG22 ' A' ' 44' ' ' THR . 8.8 pt-20 -128.79 126.36 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 75.4 110.269 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -123.83 -176.49 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.714 -0.675 . . . . 44.33 109.744 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.502 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 8.3 tt0 -114.62 133.59 55.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.781 0.324 . . . . 73.04 110.2 -174.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 t -114.79 120.33 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 64.32 110.413 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -102.7 10.17 38.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.326 -0.62 . . . . 73.11 109.326 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.2 -35.47 79.69 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.817 -0.629 . . . . 60.14 109.532 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.67 -178.98 1.61 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.102 -0.954 . . . . 72.33 109.337 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.28 36.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.195 0.443 . . . . 41.4 112.195 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.87 -111.32 3.66 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-O 119.77 -0.461 . . . . 63.52 112.12 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.63 100.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.64 2.227 . . . . 71.22 111.5 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.8 t -48.12 108.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 72.15 111.88 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.34 69.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.757 -0.656 . . . . 73.41 110.296 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -143.03 121.95 12.75 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.857 -0.61 . . . . 60.55 110.844 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.771 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 14.6 t70 -55.32 -44.14 75.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.357 -0.838 . . . . 74.24 110.363 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.81 -41.4 82.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.705 -0.68 . . . . 72.41 110.806 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.91 -45.39 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.533 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.62 -42.03 91.77 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.279 -0.637 . . . . 72.21 109.279 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.89 -52.09 66.54 Favored 'General case' 0 CA--C 1.523 -0.063 0 CA-C-N 115.426 -0.806 . . . . 72.35 110.876 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 26' ' ' THR . 26.8 t -55.4 -45.95 76.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 74.31 110.311 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -57.5 -58.36 6.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.985 -0.552 . . . . 62.4 110.73 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.92 -31.99 70.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.267 -0.424 . . . . 71.13 111.137 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -79.02 -32.97 45.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.466 -0.334 . . . . 75.43 111.391 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 22' ' ' SER . 24.9 p -69.19 -37.5 78.17 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.558 -0.534 . . . . 74.13 109.558 177.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -55.78 -67.35 0.3 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.152 -0.477 . . . . 75.14 111.01 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtm-85 -149.94 -176.84 5.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.696 -0.684 . . . . 75.44 110.404 -173.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.95 100.16 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.944 0.878 . . . . 70.41 109.296 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 p -172.85 115.25 0.28 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.654 -1.612 . . . . 61.34 109.837 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.04 146.47 43.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.104 -0.799 . . . . 71.13 111.104 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.29 141.77 17.18 Favored Glycine 0 CA--C 1.507 -0.451 0 C-N-CA 120.523 -0.846 . . . . 42.12 111.343 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -143.92 150.51 38.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.343 -0.614 . . . . 71.04 109.343 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.771 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.3 m -114.77 100.13 8.01 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.136 -0.69 . . . . 61.24 109.136 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -112.7 153.74 27.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.256 -0.884 . . . . 63.53 110.663 -169.677 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.46 148.53 8.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.34 -0.457 . . . . 55.12 112.05 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -58.35 -22.36 53.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.163 0.506 . . . . 71.21 110.799 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -76.51 0.96 18.03 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.738 -0.665 . . . . 72.2 111.137 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 61.18 42.44 12.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.013 0.435 . . . . 73.43 109.981 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 5.5 tpp85 -79.33 131.03 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 72.23 111.225 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.12 123.84 29.33 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.431 . . . . 74.34 111.474 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -122.87 146.6 47.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.713 -0.676 . . . . 62.53 110.458 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 35.8 m -114.88 132.28 56.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 45.24 109.712 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 4' ' ' GLU . 27.9 p -121.68 122.22 39.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 64.04 110.612 -173.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -137.28 176.58 8.58 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.81 -0.441 . . . . 63.21 109.81 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -101.2 124.38 46.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.598 0.237 . . . . 74.2 111.434 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.1 m . . . . . 0 C--O 1.248 0.994 0 N-CA-C 109.279 -0.637 . . . . 63.22 109.279 170.328 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 1' ' ' ARG . 12.0 mmt180 . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.057 -0.349 . . . . 73.41 110.057 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.6 m -109.26 146.93 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.968 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -114.76 148.74 37.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.94 -0.763 . . . . 53.21 108.94 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 169.76 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.835 0.35 . . . . 75.4 110.558 -177.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -159.04 170.83 21.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 44.33 109.334 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -117.83 130.75 56.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.83 0.348 . . . . 73.04 110.561 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 65.1 m -114.57 99.39 7.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.489 . . . . 64.32 111.918 -177.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -103.26 14.89 30.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.035 -1.098 . . . . 73.11 108.035 166.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 1.3 mptp? -60.67 -27.65 68.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 114.619 -1.173 . . . . 60.14 109.111 175.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.9 102.8 11.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.395 -1.275 . . . . 72.33 109.236 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' H ' ' HD3' ' A' ' 11' ' ' LYS . 3.0 mppt? -72.44 124.1 24.47 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.485 -0.325 . . . . 41.4 110.558 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -171.47 21.62 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 115.892 -0.594 . . . . 63.52 112.087 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 138.6 66.58 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.574 2.183 . . . . 71.22 111.647 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.62 87.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.134 0.492 . . . . 72.15 110.238 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.16 25.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.459 -0.791 . . . . 73.41 111.965 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -146.41 141.17 26.9 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 120.999 0.428 . . . . 60.55 111.635 -174.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.433 ' CG ' HH21 ' A' ' 33' ' ' ARG . 4.8 m-20 -57.9 -41.64 83.02 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.418 -0.81 . . . . 74.24 109.675 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -51.47 -47.07 63.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.271 -0.877 . . . . 72.41 110.397 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.31 -50.88 27.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.194 -0.912 . . . . 71.33 110.636 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -60.83 -39.05 87.57 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.026 0.441 . . . . 72.21 110.079 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.82 78.44 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.883 -0.599 . . . . 72.35 110.591 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 26' ' ' THR . 35.7 t -55.47 -49.18 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 74.31 110.034 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.74 -49.31 85.06 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.547 -0.752 . . . . 62.4 110.716 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.24 -36.69 71.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.523 -0.762 . . . . 71.13 110.28 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.1 mt-30 -76.8 -29.13 55.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.792 -0.64 . . . . 75.43 111.294 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 22' ' ' SER . 40.0 p -71.24 -29.59 65.3 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.739 -0.467 . . . . 74.13 109.739 176.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HB3' ' HD3' ' A' ' 28' ' ' ARG . 8.4 mt-10 -68.02 -73.24 0.15 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.257 -0.577 . . . . 75.14 110.376 169.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -141.26 176.31 8.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.916 0.388 . . . . 75.44 110.215 179.014 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -66.8 110.76 3.41 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.159 0.504 . . . . 70.41 110.045 172.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.586 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 3.4 p -173.94 112.76 0.19 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.915 -1.039 . . . . 61.34 110.492 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 149.25 51.65 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.908 -0.587 . . . . 71.13 111.711 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.85 150.18 18.74 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 42.12 113.332 -172.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.433 HH21 ' CG ' ' A' ' 17' ' ' ASP . 4.5 tpm_? -151.6 149.59 29.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.004 -1.109 . . . . 71.04 108.004 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.826 ' SG ' ' HA ' ' A' ' 38' ' ' ARG . 39.7 t -114.18 113.37 24.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.919 0.39 . . . . 61.24 110.278 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -117.59 -168.41 1.49 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.646 -0.706 . . . . 63.53 110.346 -174.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.73 76.16 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 111.988 -0.445 . . . . 55.12 111.988 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.0 t80 56.19 57.91 4.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.498 0.666 . . . . 71.21 109.775 -172.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.826 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 81.5 mtt180 61.5 28.15 17.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.152 -0.931 . . . . 72.2 111.637 173.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -127.65 -7.95 5.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.001 -0.545 . . . . 73.43 111.345 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 43.0 ttt180 -138.67 99.07 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 72.23 110.101 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.7 131.8 34.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.498 -0.319 . . . . 74.34 110.363 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 74.8 m-85 -116.77 157.24 25.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.002 0.429 . . . . 62.53 110.474 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 86.5 m -124.83 157.36 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 45.24 110.326 176.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 p -132.93 124.08 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.896 -0.593 . . . . 64.04 109.885 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -126.89 162.55 25.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.25 -0.432 . . . . 63.21 110.51 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -97.82 114.64 26.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 74.2 109.653 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.108 -0.472 . . . . 63.22 109.847 177.057 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 110.17 -0.307 . . . . 73.41 110.17 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.1 m -144.56 124.91 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 75.21 110.264 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.8 m -114.73 108.3 16.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 53.21 110.358 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.661 ' HB3' HG22 ' A' ' 44' ' ' THR . 12.6 pt-20 -114.85 111.86 21.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.471 0.653 . . . . 75.4 110.539 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -94.35 -164.97 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.857 -1.065 . . . . 44.33 108.913 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.517 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 21.2 tm0? -113.85 159.28 20.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.226 -1.027 . . . . 73.04 108.226 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 1.4 m -113.38 99.64 7.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.392 0.615 . . . . 64.32 110.754 -169.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -88.61 -4.38 58.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.303 -0.862 . . . . 73.11 110.396 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.64 -21.47 23.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.855 -0.611 . . . . 60.14 111.649 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -78.47 151.86 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.66 -0.496 . . . . 72.33 109.66 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.41 92.41 5.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.997 0.903 . . . . 41.4 110.196 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.24 -148.47 34.38 Favored Glycine 0 C--N 1.307 -1.068 0 CA-C-N 113.906 -1.497 . . . . 63.52 112.34 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -80.92 -173.2 1.75 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.757 2.305 . . . . 71.22 111.548 176.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.9 m -68.84 84.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 72.15 111.247 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.6 -26.19 64.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.419 0.628 . . . . 73.41 109.937 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -151.97 111.4 3.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.314 -0.857 . . . . 60.55 108.936 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.533 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 2.6 m-20 -54.93 -47.78 73.98 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.352 0.407 . . . . 74.24 111.072 -173.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -59.97 -42.82 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 72.41 110.456 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.94 -49.41 72.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 71.33 109.953 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -57.8 -44.02 86.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.522 -0.763 . . . . 72.21 110.433 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -59.92 -49.32 78.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.64 177.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -58.95 -44.75 91.48 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.258 0.552 . . . . 74.31 110.37 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.89 -43.97 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.634 -0.712 . . . . 62.4 110.352 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 98.5 m -69.45 -22.16 63.67 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.393 -0.367 . . . . 71.13 111.184 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 76.7 mt-30 -73.04 -37.07 67.0 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.852 0.358 . . . . 75.43 110.326 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -77.86 -24.65 48.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.185 0.517 . . . . 74.13 111.223 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.603 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 35.2 mm-40 -85.71 -70.26 0.61 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.901 -0.591 . . . . 75.14 111.459 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.603 ' NH1' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.88 -179.09 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 75.44 111.253 -176.116 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -86.45 -51.23 6.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.737 -0.665 . . . . 70.41 112.407 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.557 ' H ' ' HA ' ' A' ' 45' ' ' THR . 16.3 m -86.88 -23.98 25.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.655 0.613 . . . . 61.34 112.655 -169.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.535 ' HA2' ' HG2' ' A' ' 25' ' ' GLN . . . 137.3 -138.57 9.82 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.24 -0.981 . . . . 71.13 112.846 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -144.62 -179.86 21.32 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.242 -0.504 . . . . 42.12 113.254 -174.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 6.2 tpp180 -158.38 147.67 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.905 0.482 . . . . 71.04 109.874 -175.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.7 m -126.67 119.73 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.701 -0.852 . . . . 61.24 108.701 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -170.0 160.36 8.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.032 0.444 . . . . 63.53 111.9 -168.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.67 -129.4 9.84 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.572 -0.74 . . . . 55.12 114.609 165.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 39.2 m-85 -56.06 102.89 0.08 Allowed 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.211 0.604 . . . . 71.21 111.758 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 57.25 29.02 16.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.847 -0.615 . . . . 72.2 111.18 175.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 66.31 64.77 0.51 Allowed 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.544 -0.91 . . . . 73.43 108.544 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HE ' ' NE2' ' A' ' 6' ' ' GLN . 11.9 tpt180 -86.06 153.31 22.21 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.912 -1.04 . . . . 72.23 111.468 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.3 m -79.25 123.26 27.27 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.404 -0.816 . . . . 74.34 111.338 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 66.8 m-85 -122.76 148.25 45.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.144 -0.935 . . . . 62.53 108.861 175.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.452 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 79.8 m -117.11 143.28 45.97 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 45.24 109.763 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 4' ' ' GLU . 77.8 p -114.66 134.05 55.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.775 0.321 . . . . 64.04 110.262 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.557 ' HA ' ' H ' ' A' ' 30' ' ' SER . 6.8 t -139.56 170.8 15.25 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.211 -0.45 . . . . 63.21 110.067 -178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -91.36 136.63 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 74.2 110.748 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--O 1.247 0.923 0 N-CA-C 109.128 -0.693 . . . . 63.22 109.128 171.876 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.1 0.476 . . . . 73.41 110.525 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.2 m -126.62 124.31 39.61 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.803 -0.635 . . . . 75.21 109.77 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.541 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 78.8 m -114.66 154.66 28.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.267 -0.271 . . . . 53.21 110.267 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -114.87 157.91 22.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.906 0.384 . . . . 75.4 110.433 177.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -151.12 177.39 10.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.995 -0.548 . . . . 44.33 110.216 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.416 ' NE2' ' HG2' ' A' ' 40' ' ' ARG . 5.2 tp-100 -114.52 136.8 52.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.91 -0.404 . . . . 73.04 109.91 -177.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.6 t -126.56 114.54 18.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.108 0.48 . . . . 64.32 110.816 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -97.21 11.14 37.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.093 -0.706 . . . . 73.11 109.093 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -68.72 -40.35 79.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.02 -0.991 . . . . 60.14 109.988 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 14' ' ' CYS . 55.6 t80 -65.23 108.04 1.77 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.718 -0.845 . . . . 72.33 108.718 175.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -76.96 110.99 12.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.896 -0.593 . . . . 41.4 111.078 -171.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.55 162.46 30.27 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.231 -0.895 . . . . 63.52 111.798 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.63 139.12 79.45 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.329 2.019 . . . . 71.22 111.065 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 27.0 p -68.1 97.72 0.72 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.5 0.666 . . . . 72.15 110.671 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -29.88 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.34 -0.845 . . . . 73.41 110.895 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -144.74 127.46 16.22 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.975 -0.557 . . . . 60.55 110.623 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.74 -28.46 63.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 74.24 110.198 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -52.47 -57.78 8.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.862 -0.608 . . . . 72.41 110.26 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.59 -46.72 84.53 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.181 -0.918 . . . . 71.33 110.124 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.99 -46.8 78.59 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.466 -0.788 . . . . 72.21 110.548 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.29 84.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 72.35 111.181 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 t -58.21 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 74.31 110.573 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.53 -50.33 80.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.222 0.534 . . . . 62.4 110.168 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -56.57 -29.61 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 71.13 111.08 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.12 -48.39 24.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.462 0.172 . . . . 75.43 110.698 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.8 p -59.4 -29.16 67.54 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.906 -0.318 . . . . 74.13 110.464 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -80.75 -56.06 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.152 0.501 . . . . 75.14 110.409 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -126.27 92.79 3.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.582 -0.735 . . . . 75.44 110.215 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -61.61 88.1 0.02 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.085 0.469 . . . . 70.41 110.806 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -164.75 -89.46 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.365 -0.834 . . . . 61.34 110.374 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.5 150.85 23.14 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.356 -0.926 . . . . 71.13 112.688 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.61 148.01 19.36 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.438 -0.665 . . . . 42.12 111.438 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' HG3' ' H ' ' A' ' 34' ' ' CYS . 12.9 tpt180 -163.09 179.85 7.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.929 0.365 . . . . 71.04 110.204 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.614 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 69.9 m -114.15 116.0 28.4 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.403 -0.591 . . . . 61.24 109.403 177.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.519 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 3.7 tpm_? -114.68 115.51 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.26 0.552 . . . . 63.53 110.012 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.59 153.74 10.01 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.234 -0.894 . . . . 55.12 112.176 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.2 -30.86 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.605 0.362 . . . . 71.21 111.283 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -82.11 16.22 2.04 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.271 0.471 . . . . 72.2 112.271 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 61.41 29.38 18.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.579 0.228 . . . . 73.43 111.452 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' HG2' ' NE2' ' A' ' 6' ' ' GLN . 0.6 OUTLIER -75.45 124.8 27.78 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.496 -0.32 . . . . 72.23 110.329 -177.411 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 10.5 m -76.99 120.22 21.8 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.176 0.512 . . . . 74.34 112.053 -176.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 22.0 m-85 -114.59 146.54 40.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 62.53 109.238 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.1 m -114.83 140.86 48.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.197 -0.456 . . . . 45.24 111.047 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.5 p -114.73 114.82 26.13 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.94 -0.763 . . . . 64.04 108.94 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -129.34 160.63 32.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 63.21 110.223 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -71.22 127.32 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.268 -0.641 . . . . 74.2 109.268 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.541 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 12.3 m . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.674 -0.679 . . . . 63.22 110.776 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.754 -0.461 . . . . 73.41 109.754 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -104.18 116.2 31.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.973 0.416 . . . . 75.21 110.664 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.6 m -117.05 124.34 49.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.264 -0.643 . . . . 53.21 109.264 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -120.74 162.58 19.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.299 0.571 . . . . 75.4 111.075 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -147.83 -174.54 4.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 44.33 108.905 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -114.66 144.29 43.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.678 -0.489 . . . . 73.04 109.678 -176.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 p -114.6 102.56 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.379 0.609 . . . . 64.32 110.45 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -107.83 -4.6 17.88 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.434 -0.803 . . . . 73.11 110.714 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.33 -29.79 69.45 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.042 0.449 . . . . 60.14 110.451 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.93 136.36 57.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.758 . . . . 72.33 110.193 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.1 86.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 41.4 111.219 -174.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.21 -173.78 37.92 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.88 -0.6 . . . . 63.52 112.191 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.94 162.38 22.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.799 2.332 . . . . 71.22 111.986 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 14.2 t -57.2 92.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 72.15 111.54 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.45 95.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.336 0.589 . . . . 73.41 109.564 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 m -153.11 135.47 15.03 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.311 -0.858 . . . . 60.55 109.52 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 10.9 p-10 -55.77 -41.88 74.71 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.288 -0.414 . . . . 74.24 109.912 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -56.99 -39.05 73.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 72.41 109.822 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -67.54 -55.51 13.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.637 -0.711 . . . . 71.33 110.299 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.01 -40.79 94.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.154 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.71 -49.15 76.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.815 -0.63 . . . . 72.35 110.478 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' THR . 17.7 t -56.61 -48.13 78.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 74.31 110.128 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.21 -49.86 82.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 CA-C-N 116.008 -0.542 . . . . 62.4 110.582 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.8 t -59.35 -28.54 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 71.13 110.295 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 98.4 mt-30 -86.92 -21.26 26.39 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.238 -0.437 . . . . 75.43 111.535 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' SER . 41.0 p -78.09 -30.38 49.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.879 0.371 . . . . 74.13 110.074 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.93 -40.41 12.4 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.522 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.532 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 3.2 mmp_? -141.74 175.18 9.91 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.905 0.384 . . . . 75.44 111.075 -174.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.29 91.75 4.64 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.732 -0.84 . . . . 70.41 108.732 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.526 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 6.5 p -165.46 115.28 1.05 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.787 -1.097 . . . . 61.34 108.836 -175.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -58.76 144.94 43.66 Favored Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.653 -0.703 . . . . 71.13 111.791 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.71 133.07 10.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.803 -0.713 . . . . 42.12 112.226 -175.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.68 161.7 34.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.374 -0.973 . . . . 71.04 108.374 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 73.5 m -114.61 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.069 -0.394 . . . . 61.24 110.605 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -135.8 169.28 17.81 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.609 -0.723 . . . . 63.53 109.764 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.56 32.88 79.63 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.369 -0.444 . . . . 55.12 112.533 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 t80 52.29 79.53 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.785 0.434 . . . . 71.21 110.723 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 14' ' ' CYS . 8.0 mpt_? 67.86 -32.33 0.2 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.756 1.021 . . . . 72.2 113.756 -178.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -64.63 -39.12 93.15 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.304 0.483 . . . . 73.43 112.304 -168.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -112.74 158.99 19.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.265 0.555 . . . . 72.23 111.771 -177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.7 t -139.01 139.53 37.89 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.628 -0.878 . . . . 74.34 108.628 171.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -132.31 146.05 51.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.307 . . . . 62.53 110.478 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 89.0 m -114.9 133.96 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 45.24 110.487 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 4' ' ' GLU . 25.5 p -114.69 125.82 54.16 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.312 -0.404 . . . . 64.04 110.01 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 12.3 t -117.89 152.69 34.91 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.956 -0.565 . . . . 63.21 110.1 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -68.15 96.8 0.66 Allowed 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.967 -0.753 . . . . 74.2 108.967 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.689 -0.672 . . . . 63.22 110.21 -175.267 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.501 -0.185 . . . . 73.409999999999997 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.2 m -67.15 112.13 4.28 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.176 -0.675 . . . . 75.209999999999994 109.176 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 t -118.24 131.98 56.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.558 -0.746 . . . . 53.210000000000001 110.157 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.84 149.23 37.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 75.400000000000006 110.204 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -144.64 -177.34 5.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.816 . . . . 44.329999999999998 109.59 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -114.65 147.83 39.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.978 -0.379 . . . . 73.040000000000006 109.978 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -114.2 99.74 7.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.699 0.761 . . . . 64.319999999999993 109.886 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -95.83 3.8 53.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.986 -1.007 . . . . 73.109999999999999 109.009 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -83.89 -37.82 21.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.936 -1.029 . . . . 60.140000000000001 109.365 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.44 141.71 58.23 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.691 -0.686 . . . . 72.329999999999998 109.991 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -82.14 105.68 13.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 41.399999999999999 111.928 -173.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.48 -147.74 22.43 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.989 -0.551 . . . . 63.520000000000003 112.998 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.0 -179.03 4.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.013 2.475 . . . . 71.219999999999999 111.704 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.419 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.9 m -75.56 90.2 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.708 -0.224 . . . . 72.150000000000006 110.537 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.58 66.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.068 0.461 . . . . 73.409999999999997 109.83 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -159.95 140.12 11.69 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.469 -0.787 . . . . 60.549999999999997 109.839 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.44 -50.77 64.56 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.603 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.57 -32.13 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.883 -0.599 . . . . 72.409999999999997 110.662 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.509 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.8 OUTLIER -71.74 -51.84 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 71.329999999999998 110.097 -178.194 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.59 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.811 -0.44 . . . . 72.209999999999994 109.811 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' GLY . . . -63.73 -51.09 66.5 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.705 -0.68 . . . . 72.349999999999994 110.141 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 26' ' ' THR . 31.1 t -55.26 -50.07 70.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 109.868 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.14 -55.74 14.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 CA-C-O 121.244 0.545 . . . . 62.399999999999999 110.741 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.1 t -60.19 -25.58 65.68 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.39 -0.823 . . . . 71.129999999999995 110.735 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.98 -25.07 21.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.538 -0.301 . . . . 75.430000000000007 111.614 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' SER . 31.5 p -78.89 -30.99 45.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.675 0.274 . . . . 74.129999999999995 110.33 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.06 -43.08 12.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.796 -0.362 . . . . 75.140000000000001 111.371 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -143.47 179.95 6.79 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.618 0.247 . . . . 75.439999999999998 110.384 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.19 91.96 4.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.125 0.488 . . . . 70.409999999999997 110.188 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.0 p -165.64 114.78 1.01 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.558 -0.746 . . . . 61.340000000000003 109.353 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.86 126.1 17.1 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.555 -0.748 . . . . 71.129999999999995 112.129 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ALA . . . -114.3 145.02 18.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.491 -0.861 . . . . 42.119999999999997 113.386 -170.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -151.61 -179.6 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.827 0.851 . . . . 71.040000000000006 109.005 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 40' ' ' ARG . 30.7 t -114.5 142.98 45.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.829 0.347 . . . . 61.240000000000002 110.817 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.01 105.96 0.45 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.745 -0.835 . . . . 63.530000000000001 108.745 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -80.16 0.67 Allowed Glycine 0 C--N 1.318 -0.472 0 CA-C-N 115.52 -0.764 . . . . 55.119999999999997 111.49 -173.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 27.9 t80 176.91 137.02 0.06 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.182 -0.673 . . . . 71.209999999999994 109.182 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HD2' ' O ' ' A' ' 14' ' ' CYS . 13.0 mmm180 72.96 -27.4 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.05 0.759 . . . . 72.200000000000003 113.05 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 28.0 mmt180 -66.53 -69.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.684 0.624 . . . . 73.430000000000007 112.684 -168.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 13.9 tpp180 -158.44 139.63 13.23 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 121.105 -0.238 . . . . 72.230000000000004 110.468 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.16 126.26 39.28 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.444 0.64 . . . . 74.340000000000003 112.272 -171.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -117.77 145.28 44.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.93 . . . . 62.530000000000001 109.723 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.66 140.38 48.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.67 0.271 . . . . 45.240000000000002 110.284 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -115.7 137.18 52.34 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.177 -0.465 . . . . 64.040000000000006 110.514 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -158.38 -179.58 8.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 63.210000000000001 109.291 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -101.23 100.2 10.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.073 0.464 . . . . 74.200000000000003 110.929 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.713 -0.676 . . . . 63.219999999999999 109.245 175.124 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.376 -0.231 . . . . 73.409999999999997 110.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.2 m -93.17 125.83 37.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.802 -0.444 . . . . 75.209999999999994 109.802 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 53.3 t -114.83 99.95 7.86 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.987 -0.746 . . . . 53.210000000000001 108.987 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 12.9 pt-20 -116.79 140.36 49.53 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 75.400000000000006 112.022 -175.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -117.24 -169.89 1.74 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.73 -1.123 . . . . 44.329999999999998 108.814 174.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -115.23 163.43 15.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.608 -0.515 . . . . 73.040000000000006 109.608 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 t -114.12 141.06 47.96 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.284 -0.635 . . . . 64.319999999999993 109.284 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -138.4 5.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 73.109999999999999 110.911 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -94.14 -33.46 13.32 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.738 -0.468 . . . . 60.140000000000001 109.738 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.07 137.44 57.98 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.847 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.94 124.68 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.838 -0.619 . . . . 41.399999999999999 110.614 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.94 139.8 9.49 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.287 -0.482 . . . . 63.520000000000003 112.549 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.38 86.34 0.82 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.323 2.015 . . . . 71.219999999999999 111.663 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.6 m 65.49 35.89 7.0 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.642 -0.708 . . . . 72.150000000000006 110.987 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.93 -42.89 63.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.933 -0.576 . . . . 73.409999999999997 111.215 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -148.04 125.43 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.846 -0.798 . . . . 60.549999999999997 108.846 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -64.42 -43.19 95.13 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.222 0.453 . . . . 74.239999999999995 112.222 -172.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -63.88 -49.69 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.442 0.639 . . . . 72.409999999999997 109.57 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.55 -46.1 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.963 -1.017 . . . . 71.329999999999998 109.947 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 t -53.31 -48.66 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.065 -0.971 . . . . 72.209999999999994 110.465 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.97 83.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.726 -0.67 . . . . 72.349999999999994 111.068 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 t -59.96 -53.82 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.608 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.55 -39.4 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 116.071 -0.513 . . . . 62.399999999999999 110.964 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 45.1 t -65.49 -38.99 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 71.129999999999995 110.365 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.76 -31.02 67.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.635 -0.257 . . . . 75.430000000000007 110.861 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -72.66 -35.7 67.78 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.919 -0.312 . . . . 74.129999999999995 110.646 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 8.8 pt-20 -74.79 -50.09 18.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.209 -0.597 . . . . 75.140000000000001 110.476 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 28.4 mmm180 -140.29 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.642 0.377 . . . . 75.439999999999998 110.07 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -63.79 92.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.47 0.652 . . . . 70.409999999999997 110.293 176.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.488 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 13.6 p -167.89 117.04 0.78 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.678 -1.146 . . . . 61.340000000000003 108.871 -177.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 138.5 49.12 Favored Glycine 0 C--O 1.221 -0.685 0 N-CA-C 111.238 -0.745 . . . . 71.129999999999995 111.238 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.1 128.83 8.43 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 119.659 -1.257 . . . . 42.119999999999997 113.496 -166.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -134.51 172.56 12.75 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.899 -0.778 . . . . 71.040000000000006 108.899 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -115.44 138.07 51.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.004 -0.369 . . . . 61.240000000000002 110.004 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.98 128.58 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.628 -0.879 . . . . 63.530000000000001 108.628 171.391 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.83 -72.55 0.52 Allowed Glycine 0 CA--C 1.518 0.266 0 O-C-N 123.34 0.4 . . . . 55.119999999999997 114.015 -173.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -71.81 -30.06 65.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.998 0.428 . . . . 71.209999999999994 110.69 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . 8.3 tpt180 -69.92 -28.25 65.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 72.200000000000003 109.899 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 47.84 63.69 1.92 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.483 -0.78 . . . . 73.430000000000007 110.927 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -159.11 147.3 17.9 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.65 -0.705 . . . . 72.230000000000004 110.139 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 m -73.83 113.8 11.4 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.394 -0.821 . . . . 74.340000000000003 111.943 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -119.54 138.11 53.39 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.495 -0.928 . . . . 62.530000000000001 108.495 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 61.8 m -122.13 149.4 43.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.251 -0.431 . . . . 45.240000000000002 110.991 -171.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 4' ' ' GLU . 40.3 p -114.47 143.7 44.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.17 0.51 . . . . 64.040000000000006 110.49 -175.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 13.6 t -142.37 -179.81 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.379 -0.828 . . . . 63.210000000000001 109.804 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -99.93 100.35 11.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.061 -0.518 . . . . 74.200000000000003 110.351 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 3' ' ' CYS . 81.2 m . . . . . 0 C--O 1.248 1.013 0 N-CA-C 109.299 -0.63 . . . . 63.219999999999999 109.299 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.558 0.218 . . . . 73.409999999999997 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.3 m -73.63 124.14 25.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.77 -0.456 . . . . 75.209999999999994 109.77 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -114.95 149.4 37.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.951 -0.568 . . . . 53.210000000000001 109.685 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.73 150.47 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.978 0.418 . . . . 75.400000000000006 110.055 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -152.7 -170.32 3.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 44.329999999999998 109.189 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 57.5 tt0 -135.37 157.43 46.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.76 -0.459 . . . . 73.040000000000006 109.76 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.4 t -114.52 119.44 36.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.464 0.65 . . . . 64.319999999999993 109.839 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -110.7 -3.3 15.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 73.109999999999999 109.653 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.39 -26.49 51.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.296 -0.865 . . . . 60.140000000000001 110.026 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -69.35 159.53 32.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.51 -0.768 . . . . 72.329999999999998 110.531 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -94.02 108.35 20.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.279 -0.418 . . . . 41.399999999999999 110.946 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.98 -157.6 48.79 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.382 -0.437 . . . . 63.520000000000003 112.518 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.44 -177.45 3.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.963 2.442 . . . . 71.219999999999999 111.843 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.28 88.76 0.08 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.051 -0.522 . . . . 72.150000000000006 110.751 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.86 -34.49 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.611 -0.722 . . . . 73.409999999999997 110.56 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 m -144.32 129.49 18.67 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.005 -0.543 . . . . 60.549999999999997 110.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.76 -57.73 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 74.239999999999995 110.997 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -57.0 -46.1 82.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.802 -0.636 . . . . 72.409999999999997 110.51 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.89 -52.96 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 71.329999999999998 110.502 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -45.8 90.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.148 0.499 . . . . 72.209999999999994 110.24 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.49 -45.34 94.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.471 -0.786 . . . . 72.349999999999994 110.662 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -61.87 -46.42 89.51 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.081 0.467 . . . . 74.310000000000002 110.319 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -57.85 -49.25 81.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 115.968 -0.56 . . . . 62.399999999999999 110.643 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 48.8 t -62.2 -43.64 98.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.301 -0.409 . . . . 71.129999999999995 110.631 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 99.6 mt-30 -65.12 -33.7 76.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.586 -0.279 . . . . 75.430000000000007 111.181 -178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -74.4 -41.93 60.09 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.548 -0.296 . . . . 74.129999999999995 110.863 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.58 -35.86 75.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.462 -0.495 . . . . 75.140000000000001 110.478 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.451 HH22 HG21 ' A' ' 45' ' ' THR . 73.0 ttp85 -172.71 122.27 0.42 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.533 0.333 . . . . 75.439999999999998 110.122 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -44.08 101.8 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.481 0.657 . . . . 70.409999999999997 112.19 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.8 m -158.74 117.12 2.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.638 -1.245 . . . . 61.340000000000003 107.638 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -48.8 147.57 5.33 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.818 -0.628 . . . . 71.129999999999995 112.148 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.53 118.32 4.34 Favored Glycine 0 C--O 1.235 0.193 0 C-N-CA 120.703 -0.761 . . . . 42.119999999999997 112.303 -172.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -124.54 154.98 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.11 -0.7 . . . . 71.040000000000006 109.11 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -114.98 107.97 16.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.005 0.431 . . . . 61.240000000000002 110.362 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -136.87 145.45 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.333 -0.618 . . . . 63.530000000000001 109.333 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.87 166.59 12.09 Favored Glycine 0 C--O 1.234 0.106 0 C-N-CA 121.245 -0.502 . . . . 55.119999999999997 111.987 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -54.42 -40.68 68.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.831 0.348 . . . . 71.209999999999994 111.325 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -109.73 21.74 16.55 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.362 -0.381 . . . . 72.200000000000003 110.194 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 56.78 78.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 73.430000000000007 110.547 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -82.53 156.99 23.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.0 -0.37 . . . . 72.230000000000004 110.0 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.5 109.9 18.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.953 -0.567 . . . . 74.340000000000003 109.955 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 68.3 m-85 -114.72 139.06 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.49 -0.559 . . . . 62.530000000000001 109.49 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 74.4 m -114.72 142.85 45.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.251 -0.431 . . . . 45.240000000000002 111.365 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -114.81 117.8 31.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.704 -0.68 . . . . 64.040000000000006 109.938 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.451 HG21 HH22 ' A' ' 28' ' ' ARG . 14.1 t -124.51 -179.8 4.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.143 -0.935 . . . . 63.210000000000001 109.323 -176.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -125.77 114.94 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.852 0.358 . . . . 74.200000000000003 110.912 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.255 -0.878 . . . . 63.219999999999999 109.77 178.382 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 1' ' ' ARG . 4.6 mmp_? . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.734 0.302 . . . . 73.409999999999997 110.955 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.0 m -93.34 158.67 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.923 -0.769 . . . . 75.209999999999994 108.923 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.59 100.16 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.79 -0.818 . . . . 53.210000000000001 108.79 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.21 152.79 38.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.546 . . . . 75.400000000000006 110.73 -173.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -157.51 -169.85 3.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 44.329999999999998 109.849 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 45.9 tt0 -122.12 144.44 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.571 0.348 . . . . 73.040000000000006 110.21 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.0 p -114.68 135.19 54.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.945 0.402 . . . . 64.319999999999993 110.567 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -126.87 6.45 6.65 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.316 -0.402 . . . . 73.109999999999999 110.574 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.71 -33.31 74.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.077 -0.712 . . . . 60.140000000000001 109.077 174.072 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.98 143.64 51.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 114.838 -1.074 . . . . 72.329999999999998 110.588 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 38.3 ttmt -84.33 115.16 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 41.399999999999999 111.221 -174.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.1 -157.48 49.01 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.294 -0.866 . . . . 63.520000000000003 113.59 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.09 165.39 32.1 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.774 2.316 . . . . 71.219999999999999 111.854 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.5 85.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 72.150000000000006 111.671 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.14 64.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.219 0.533 . . . . 73.409999999999997 109.858 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -140.77 117.24 10.8 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.577 -0.738 . . . . 60.549999999999997 109.999 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.26 -35.67 76.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 110.43 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -66.23 -42.61 88.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.076 0.465 . . . . 72.409999999999997 109.94 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -66.21 -45.64 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 71.329999999999998 109.759 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.7 t -55.81 -42.6 75.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.589 -0.732 . . . . 72.209999999999994 110.252 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.74 -53.27 59.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.742 -0.663 . . . . 72.349999999999994 110.885 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -56.25 -47.43 78.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 74.310000000000002 110.626 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 55.0 t -57.72 -51.5 69.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 115.871 -0.604 . . . . 62.399999999999999 110.725 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 29' ' ' PHE . 44.3 t -59.41 -35.58 74.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.895 -0.593 . . . . 71.129999999999995 111.052 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 79.7 mt-30 -72.69 -32.53 65.85 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.213 -0.448 . . . . 75.430000000000007 111.005 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.1 p -73.92 -29.64 62.15 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.112 -0.329 . . . . 74.129999999999995 110.112 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 31.2 mt-10 -64.49 -78.13 0.05 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.293 -0.412 . . . . 75.140000000000001 110.75 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -153.86 -41.12 0.09 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.52 -0.309 . . . . 75.439999999999998 111.681 -175.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.739 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 51.6 m-85 -75.13 152.24 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 70.409999999999997 111.33 -168.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -84.64 -22.79 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 61.340000000000003 110.784 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.74 149.01 19.61 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.69 -0.564 . . . . 71.129999999999995 111.69 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.41 138.38 5.94 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.254 -0.738 . . . . 42.119999999999997 111.254 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.582 ' HG2' ' H ' ' A' ' 34' ' ' CYS . 48.5 ttp85 -165.25 -179.06 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.429 -0.582 . . . . 71.040000000000006 109.429 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.582 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 13.9 m -114.05 136.8 52.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.14 0.495 . . . . 61.240000000000002 110.27 -169.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.91 112.44 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.461 -0.79 . . . . 63.530000000000001 111.997 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.87 -114.11 0.28 Allowed Glycine 0 N--CA 1.463 0.45 0 CA-C-N 114.695 -1.139 . . . . 55.119999999999997 114.321 174.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.64 -2.13 28.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 71.209999999999994 110.851 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -66.35 -27.8 68.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.14 -0.482 . . . . 72.200000000000003 110.405 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 64.2 20.62 12.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.833 -0.622 . . . . 73.430000000000007 111.073 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -98.52 134.48 41.42 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.938 -0.574 . . . . 72.230000000000004 109.68 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -76.22 118.99 19.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.299 0.481 . . . . 74.340000000000003 112.299 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 67.1 m-85 -117.0 158.75 23.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.453 -0.794 . . . . 62.530000000000001 108.871 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -130.16 146.32 51.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.386 -0.37 . . . . 45.240000000000002 111.474 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.2 p -120.67 139.8 52.52 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.512 -0.767 . . . . 64.040000000000006 110.665 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.8 t -158.65 -179.69 8.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.713 -0.676 . . . . 63.210000000000001 109.249 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -115.54 129.96 56.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.748 0.308 . . . . 74.200000000000003 110.294 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.687 -0.486 . . . . 63.219999999999999 109.687 -179.267 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.572 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 1.5 mmp_? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.23 0.538 . . . . 73.409999999999997 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 m -140.4 145.03 36.53 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.562 -0.744 . . . . 75.209999999999994 109.857 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -114.94 142.03 47.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 53.210000000000001 110.062 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.3 OUTLIER -128.19 150.01 50.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 75.400000000000006 110.447 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -142.18 -177.01 5.03 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.309 -0.626 . . . . 44.329999999999998 109.309 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.677 ' NE2' ' HD2' ' A' ' 40' ' ' ARG . 51.4 tt0 -114.23 146.77 39.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.457 -0.571 . . . . 73.040000000000006 109.457 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.2 m -114.17 99.69 7.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.327 0.584 . . . . 64.319999999999993 110.103 -172.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -113.3 20.46 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.331 -0.85 . . . . 73.109999999999999 110.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -84.62 -28.08 26.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.364 -0.835 . . . . 60.140000000000001 109.149 172.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -68.13 142.94 55.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.989 -1.005 . . . . 72.329999999999998 109.795 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -76.82 111.23 12.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 41.399999999999999 110.775 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.45 174.02 29.78 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.045 -0.525 . . . . 63.520000000000003 112.512 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.71 43.0 1.27 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.227 2.618 . . . . 71.219999999999999 112.436 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t 64.0 108.34 0.03 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.265 0.555 . . . . 72.150000000000006 110.678 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . . . -93.48 -55.34 3.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 73.409999999999997 110.426 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -120.24 123.9 44.35 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.957 -0.565 . . . . 60.549999999999997 110.952 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 14.6 t70 -47.64 -58.87 3.75 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.211 -0.904 . . . . 74.239999999999995 111.168 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -55.14 -41.18 71.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.8 -0.636 . . . . 72.409999999999997 111.504 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -68.43 -46.83 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 71.329999999999998 111.068 -174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.74 -40.8 97.61 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.482 -0.562 . . . . 72.209999999999994 109.482 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.28 -49.16 78.71 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.31 -0.859 . . . . 72.349999999999994 110.674 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.1 t -61.92 -41.79 98.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.253 -0.431 . . . . 74.310000000000002 110.282 -177.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -56.73 -52.2 57.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.195 0.522 . . . . 62.399999999999999 110.235 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.84 -33.95 69.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.514 -0.766 . . . . 71.129999999999995 110.349 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -77.14 -30.63 55.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.798 -0.637 . . . . 75.430000000000007 111.521 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.7 p -77.16 -33.95 56.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.551 0.215 . . . . 74.129999999999995 110.947 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 10.7 pt-20 -77.33 -50.11 13.51 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.659 -0.416 . . . . 75.140000000000001 110.813 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 10.5 mtp180 -142.81 -174.17 4.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.952 0.406 . . . . 75.439999999999998 110.671 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.78 99.42 9.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.459 0.647 . . . . 70.409999999999997 109.94 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 43' ' ' CYS . 12.0 t -162.92 112.94 1.4 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.912 -1.04 . . . . 61.340000000000003 108.515 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.09 123.34 32.29 Favored Glycine 0 C--O 1.23 -0.142 0 CA-C-N 115.986 -0.552 . . . . 71.129999999999995 112.016 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.57 149.65 18.77 Favored Glycine 0 C--O 1.234 0.148 0 C-N-CA 120.831 -0.699 . . . . 42.119999999999997 112.955 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -145.06 169.0 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.154 0.581 . . . . 71.040000000000006 110.011 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 7.0 t -114.61 100.32 8.19 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.601 -0.518 . . . . 61.240000000000002 109.601 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -153.36 157.7 40.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.574 -0.739 . . . . 63.530000000000001 109.392 -173.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.33 -150.31 19.88 Favored Glycine 0 N--CA 1.452 -0.261 0 N-CA-C 111.647 -0.581 . . . . 55.119999999999997 111.647 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -63.72 -58.36 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.412 -0.588 . . . . 71.209999999999994 109.412 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -118.52 -60.72 1.75 Allowed 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.32 -0.855 . . . . 72.200000000000003 109.581 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' NH2' ' HA ' ' A' ' 15' ' ' ALA . 57.8 mtp180 -151.89 110.56 3.81 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.683 -0.69 . . . . 73.430000000000007 110.641 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.677 ' HD2' ' NE2' ' A' ' 6' ' ' GLN . 27.2 mtm180 -142.28 174.88 10.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.552 -0.749 . . . . 72.230000000000004 109.443 173.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.3 t -128.5 132.98 48.35 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.504 -0.554 . . . . 74.340000000000003 109.504 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.37 141.37 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.631 -0.259 . . . . 62.530000000000001 110.73 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.405 ' HB3' ' OG ' ' A' ' 30' ' ' SER . 77.8 m -115.79 150.01 37.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.22 -0.445 . . . . 45.240000000000002 110.282 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.435 HG22 ' HB3' ' A' ' 4' ' ' GLU . 31.5 p -132.55 130.08 39.88 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 116.301 -0.409 . . . . 64.040000000000006 111.327 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.7 t -142.48 165.06 28.44 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.804 -0.635 . . . . 63.210000000000001 109.479 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.48 139.35 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 74.200000000000003 111.527 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.165 -0.922 . . . . 63.219999999999999 109.434 173.117 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.812 0.339 . . . . 73.409999999999997 110.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.9 m -79.03 132.32 36.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.236 -0.438 . . . . 75.209999999999994 110.182 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -117.44 158.45 24.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.938 -0.393 . . . . 53.210000000000001 109.938 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.17 162.72 24.03 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.168 0.509 . . . . 75.400000000000006 110.807 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -143.89 175.74 9.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.325 -0.852 . . . . 44.329999999999998 109.061 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -114.57 145.3 42.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.709 -0.478 . . . . 73.040000000000006 109.709 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -114.66 107.91 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.178 0.513 . . . . 64.319999999999993 110.324 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -112.7 11.83 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.41 -0.814 . . . . 73.109999999999999 109.317 171.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -76.55 -42.8 41.64 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.197 -1.038 . . . . 60.140000000000001 108.197 172.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.5 130.93 48.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.514 -0.766 . . . . 72.329999999999998 109.648 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 8.7 mtpm? -121.29 140.6 51.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 41.399999999999999 110.589 -175.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.91 -158.69 14.16 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 116.128 -0.487 . . . . 63.520000000000003 112.361 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.73 115.4 3.84 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.752 2.302 . . . . 71.219999999999999 111.56 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 41' ' ' CYS . 16.0 t -80.23 68.67 6.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.407 0.623 . . . . 72.150000000000006 109.779 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.68 -40.51 5.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.378 -0.828 . . . . 73.409999999999997 109.517 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -79.7 81.55 5.94 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-O 121.556 0.693 . . . . 60.549999999999997 110.257 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -58.13 -35.69 71.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.323 -0.853 . . . . 74.239999999999995 110.565 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.4 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.464 -0.569 . . . . 72.409999999999997 109.464 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.82 -51.14 61.47 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 71.329999999999998 109.662 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -61.57 -37.81 85.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.039 -0.528 . . . . 72.209999999999994 110.161 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.31 -48.48 79.65 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.884 -0.598 . . . . 72.349999999999994 110.534 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -55.38 -50.84 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.052 -0.522 . . . . 74.310000000000002 109.685 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.03 -53.58 26.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 115.441 -0.8 . . . . 62.399999999999999 110.837 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.36 -35.51 74.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.866 -0.606 . . . . 71.129999999999995 110.548 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 77.7 mt-30 -77.32 -30.08 53.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 111.454 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -76.48 -29.18 56.76 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.89 0.376 . . . . 74.129999999999995 110.118 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.31 -61.25 2.0 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.027 -0.533 . . . . 75.140000000000001 111.577 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -129.85 178.9 6.18 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.151 0.501 . . . . 75.439999999999998 111.467 -174.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -93.1 88.63 6.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.635 0.731 . . . . 70.409999999999997 109.449 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 13.1 p -165.3 116.68 1.12 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.42 -1.264 . . . . 61.340000000000003 108.829 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 151.22 37.96 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.593 -0.731 . . . . 71.129999999999995 111.57 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.85 145.75 18.7 Favored Glycine 0 C--O 1.236 0.219 0 C-N-CA 120.648 -0.787 . . . . 42.119999999999997 112.989 -173.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -161.89 143.27 11.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.553 -0.536 . . . . 71.040000000000006 109.553 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 41' ' ' CYS . 40.8 t -114.61 122.89 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.429 -0.582 . . . . 61.240000000000002 109.429 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 18.4 tpt180 -82.13 127.14 32.84 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.012 0.434 . . . . 63.530000000000001 110.263 -174.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.23 65.73 4.02 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.69 -0.686 . . . . 55.119999999999997 114.406 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -92.6 -87.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.291 -1.003 . . . . 71.209999999999994 108.291 167.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -111.14 -56.33 2.38 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 108.601 -0.888 . . . . 72.200000000000003 108.601 167.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -177.59 110.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.611 -0.722 . . . . 73.430000000000007 109.937 172.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -159.3 120.71 3.31 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.582 -0.525 . . . . 72.230000000000004 109.582 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 21.8 t -91.92 152.21 20.16 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.866 -0.607 . . . . 74.340000000000003 110.591 -176.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -140.97 151.25 44.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.585 -0.734 . . . . 62.530000000000001 109.773 -177.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 92.8 m -124.76 137.18 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.041 -0.355 . . . . 45.240000000000002 110.041 178.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.82 140.82 48.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.848 0.356 . . . . 64.040000000000006 110.472 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -147.41 -179.98 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 63.210000000000001 110.212 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -112.12 118.26 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.282 0.233 . . . . 74.200000000000003 110.894 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.9 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.7 -0.666 . . . . 63.219999999999999 110.141 176.466 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.581 ' HG2' ' HB2' ' A' ' 47' ' ' CYS . 45.2 ttp180 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.224 0.535 . . . . 73.409999999999997 109.733 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.0 m -117.32 135.51 53.79 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.765 -0.652 . . . . 75.209999999999994 110.31 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 96.2 m -114.68 136.52 52.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.363 -0.38 . . . . 53.210000000000001 110.202 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.469 ' HB3' HG22 ' A' ' 44' ' ' THR . 13.5 pt-20 -114.91 108.87 17.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.744 0.783 . . . . 75.400000000000006 110.426 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -101.3 -169.47 1.7 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.954 -1.021 . . . . 44.329999999999998 109.547 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 59.8 tt0 -114.6 160.34 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.428 -0.582 . . . . 73.040000000000006 109.428 -178.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 m -114.19 124.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.965 0.412 . . . . 64.319999999999993 110.614 -174.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -127.67 3.24 6.11 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.871 -0.604 . . . . 73.109999999999999 110.844 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -85.67 -11.96 52.48 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 108.981 -0.748 . . . . 60.140000000000001 108.981 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.93 149.47 29.39 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 114.962 -1.017 . . . . 72.329999999999998 110.153 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -107.12 128.66 54.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 41.399999999999999 111.142 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.57 -170.37 54.15 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.905 -0.588 . . . . 63.520000000000003 113.124 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.34 176.77 9.2 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.757 2.305 . . . . 71.219999999999999 111.307 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.4 t -72.32 86.65 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 72.150000000000006 110.138 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.77 -29.82 70.38 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.821 -0.627 . . . . 73.409999999999997 110.321 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -173.09 136.53 0.65 Allowed 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.532 -0.758 . . . . 60.549999999999997 109.96 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -55.03 -37.34 66.54 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.979 -0.555 . . . . 74.239999999999995 109.872 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -67.74 -35.32 78.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.69 -0.686 . . . . 72.409999999999997 110.144 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -66.98 -44.04 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.152 -0.685 . . . . 71.329999999999998 109.152 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.88 -41.57 78.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.537 -0.756 . . . . 72.209999999999994 110.036 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.88 -57.54 12.59 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.963 -0.562 . . . . 72.349999999999994 110.671 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' THR . 23.2 t -54.16 -47.22 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 74.310000000000002 110.633 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.11 -51.73 69.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 116.106 -0.497 . . . . 62.399999999999999 110.79 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 13.3 t -64.17 -31.78 73.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.08 0.467 . . . . 71.129999999999995 110.627 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.25 -33.85 67.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.036 -0.529 . . . . 75.430000000000007 110.61 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' SER . 72.7 p -78.3 -22.66 47.84 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.939 -0.304 . . . . 74.129999999999995 110.644 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.61 -53.09 62.08 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.24 -0.281 . . . . 75.140000000000001 110.24 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HB3' ' H ' ' A' ' 29' ' ' PHE . 22.3 ttm180 -168.59 -91.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.59 -0.277 . . . . 75.439999999999998 110.678 174.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' H ' ' HB3' ' A' ' 28' ' ' ARG . 76.3 m-85 -147.78 86.51 1.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.317 -0.623 . . . . 70.409999999999997 109.317 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.668 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 31.2 m -159.92 116.66 2.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.747 -0.834 . . . . 61.340000000000003 108.747 -174.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.46 139.33 48.2 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 111.257 -0.737 . . . . 71.129999999999995 111.257 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.88 130.82 9.41 Favored Glycine 0 C--O 1.235 0.188 0 C-N-CA 120.541 -0.838 . . . . 42.119999999999997 112.307 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -144.07 179.64 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.491 -0.559 . . . . 71.040000000000006 109.491 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.1 m -130.32 134.04 46.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.957 -0.757 . . . . 61.240000000000002 108.957 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -116.78 14.85 15.34 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.296 0.569 . . . . 63.530000000000001 110.949 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -126.08 152.97 18.33 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 109.977 -1.249 . . . . 55.119999999999997 109.977 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -63.68 93.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.38 0.59 . . . . 71.209999999999994 110.429 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 64.86 23.05 12.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.484 -0.78 . . . . 72.200000000000003 109.99 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -149.2 163.95 36.16 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.442 -0.799 . . . . 73.430000000000007 110.149 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.506 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 24.9 ttt180 58.02 93.76 0.03 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.593 0.711 . . . . 72.230000000000004 112.26 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.72 137.28 32.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.108 -0.951 . . . . 74.340000000000003 110.423 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.506 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 45.6 m-85 -125.99 152.45 45.7 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.957 0.503 . . . . 62.530000000000001 110.407 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -121.47 138.96 54.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.516 . . . . 45.240000000000002 110.398 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.469 HG22 ' HB3' ' A' ' 4' ' ' GLU . 31.6 p -114.65 126.43 54.88 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.988 -0.551 . . . . 64.040000000000006 109.951 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -148.07 172.26 14.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.196 -0.456 . . . . 63.210000000000001 110.903 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -74.99 134.39 41.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 74.200000000000003 110.4 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB2' ' HG2' ' A' ' 1' ' ' ARG . 23.4 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.292 -0.861 . . . . 63.219999999999999 110.253 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 1' ' ' ARG . 11.4 ptp180 . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.728 0.299 . . . . 73.409999999999997 110.725 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.0 m -104.73 115.41 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.339 -0.615 . . . . 75.209999999999994 109.339 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.9 135.8 53.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.573 -0.285 . . . . 53.210000000000001 110.923 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 10.6 pt-20 -114.83 109.7 18.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.62 0.724 . . . . 75.400000000000006 110.362 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -96.71 -168.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.988 . . . . 44.329999999999998 109.537 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -114.44 148.81 37.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.785 -0.45 . . . . 73.040000000000006 109.785 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.9 t -114.34 119.68 37.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.55 0.69 . . . . 64.319999999999993 110.451 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -107.34 19.65 20.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 73.109999999999999 109.436 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 28.1 tptp -111.89 -15.2 13.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.622 -0.717 . . . . 60.140000000000001 110.288 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.39 165.99 21.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.759 -0.655 . . . . 72.329999999999998 110.569 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -86.27 104.47 15.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.123 -0.489 . . . . 41.399999999999999 111.368 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.85 -148.38 39.75 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.974 -0.557 . . . . 63.520000000000003 113.173 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 12.8 Cg_exo -69.97 -69.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.692 2.261 . . . . 71.219999999999999 111.861 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 9.2 t -153.51 172.07 17.73 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.441 -1.254 . . . . 72.150000000000006 110.261 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.604 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -151.97 -40.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.95 -0.759 . . . . 73.409999999999997 108.95 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -177.07 145.15 0.46 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.04 -0.982 . . . . 60.549999999999997 109.076 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -57.99 -35.12 70.77 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.017 -0.734 . . . . 74.239999999999995 109.017 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -58.87 -50.69 73.07 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 114.933 -1.03 . . . . 72.409999999999997 110.339 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.23 -48.75 76.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.35 -0.841 . . . . 71.329999999999998 110.396 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.2 m -58.04 -39.31 78.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 72.209999999999994 110.917 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -57.72 11.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 72.349999999999994 110.328 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.1 t -51.84 -56.24 15.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.64 -0.709 . . . . 74.310000000000002 111.047 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 90.5 t -58.41 -53.97 39.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 62.399999999999999 110.98 -177.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -60.95 -36.58 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.607 -0.269 . . . . 71.129999999999995 110.511 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -70.94 -34.19 71.24 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.713 0.292 . . . . 75.430000000000007 110.974 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -74.6 -27.85 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.481 . . . . 74.129999999999995 110.472 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 76.6 mm-40 -79.24 -38.71 34.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.178 -0.465 . . . . 75.140000000000001 111.312 177.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -167.06 159.26 12.97 Favored 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 109.921 -0.4 . . . . 75.439999999999998 109.921 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.96 84.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 70.409999999999997 110.046 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -163.44 117.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.132 -0.94 . . . . 61.340000000000003 108.634 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.25 177.99 6.71 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.779 -0.528 . . . . 71.129999999999995 111.779 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.07 163.53 25.07 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.543 -0.837 . . . . 42.119999999999997 113.174 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -165.18 170.85 14.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.196 0.599 . . . . 71.040000000000006 109.732 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.99 120.36 39.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.582 -0.896 . . . . 61.240000000000002 108.582 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 23.7 tpt180 -136.8 159.08 42.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.372 -0.377 . . . . 63.530000000000001 110.436 -170.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 162.03 36.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.191 -0.528 . . . . 55.119999999999997 112.659 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -65.37 -29.7 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 71.209999999999994 110.415 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -76.7 -11.83 59.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.451 -0.795 . . . . 72.200000000000003 110.696 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? 57.41 63.22 1.92 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.619 -0.511 . . . . 73.430000000000007 109.619 -171.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -99.5 160.97 13.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.135 -0.32 . . . . 72.230000000000004 110.135 -178.364 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.1 t -82.47 114.85 21.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.082 -0.508 . . . . 74.340000000000003 111.111 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 28.1 m-85 -114.82 154.91 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.727 -0.67 . . . . 62.530000000000001 109.813 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 67.1 m -114.9 142.66 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 45.240000000000002 110.698 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.9 p -114.73 116.24 28.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 64.040000000000006 110.417 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -131.27 -179.93 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 63.210000000000001 110.205 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -102.51 128.89 48.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.939 0.4 . . . . 74.200000000000003 111.228 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.7 -0.666 . . . . 63.219999999999999 109.364 172.415 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.992 0.425 . . . . 73.409999999999997 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 m -108.41 130.6 55.23 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.651 -0.704 . . . . 75.209999999999994 110.126 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.85 154.38 28.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 53.210000000000001 109.732 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 11.0 tt0 -114.73 152.82 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.863 -0.421 . . . . 75.400000000000006 109.863 -175.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -143.14 171.54 13.94 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.602 -0.888 . . . . 44.329999999999998 108.602 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -114.78 137.35 52.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 73.040000000000006 110.223 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 p -114.49 99.68 7.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 64.319999999999993 110.28 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -86.63 1.3 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.797 -0.638 . . . . 73.109999999999999 109.648 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.41 -35.42 80.87 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.83 -0.804 . . . . 60.140000000000001 108.83 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -82.29 115.79 21.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.076 -0.966 . . . . 72.329999999999998 108.91 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.17 116.24 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.297 0.57 . . . . 41.399999999999999 111.867 -172.649 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.4 -151.69 19.97 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.847 -0.615 . . . . 63.520000000000003 113.145 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -84.3 164.92 12.85 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.219 2.613 . . . . 71.219999999999999 111.588 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.97 77.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 72.150000000000006 110.0 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.09 67.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.601 -0.727 . . . . 73.409999999999997 111.303 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -146.73 134.4 21.07 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 116.28 -0.418 . . . . 60.549999999999997 110.564 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -54.37 47.3 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.218 -0.901 . . . . 74.239999999999995 110.234 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -52.46 -45.31 66.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.406 -0.815 . . . . 72.409999999999997 110.659 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -63.63 -56.72 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 71.329999999999998 111.088 -176.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.53 -51.48 66.92 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.206 0.527 . . . . 72.209999999999994 110.217 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -57.17 -53.89 52.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.291 -0.868 . . . . 72.349999999999994 111.252 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.51 -44.66 93.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 111.12 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -58.89 -50.05 80.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.944 -0.391 . . . . 62.399999999999999 109.944 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.6 t -58.32 -46.74 85.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.958 -0.565 . . . . 71.129999999999995 110.942 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.7 mt-30 -63.73 -32.9 74.54 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.729 0.3 . . . . 75.430000000000007 111.06 -176.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 p -76.38 -35.23 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 74.129999999999995 110.975 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 10.1 pt-20 -77.28 -28.55 53.48 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.873 -0.331 . . . . 75.140000000000001 111.182 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.7 tpm_? -171.81 143.16 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.398 0.279 . . . . 75.439999999999998 110.453 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.43 98.91 0.07 Allowed 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.923 0.868 . . . . 70.409999999999997 110.325 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.737 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 75.8 m -167.4 120.4 0.94 Allowed 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 113.464 -1.698 . . . . 61.340000000000003 108.627 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 178.89 1.01 Allowed Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.874 -0.603 . . . . 71.129999999999995 112.341 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.48 146.22 18.69 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.944 -0.646 . . . . 42.119999999999997 112.538 -173.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -148.95 155.13 40.38 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.689 0.395 . . . . 71.040000000000006 110.201 -174.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -114.79 111.7 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.524 -0.547 . . . . 61.240000000000002 109.524 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -139.27 141.01 37.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.602 -0.518 . . . . 63.530000000000001 109.602 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.39 166.33 12.89 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.515 -0.634 . . . . 55.119999999999997 111.515 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -65.4 -39.92 92.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.35 . . . . 71.209999999999994 110.852 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -98.7 16.05 23.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.981 0.42 . . . . 72.200000000000003 110.115 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 4.3 mpt_? 56.22 77.62 0.24 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.697 -0.683 . . . . 73.430000000000007 111.06 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -85.81 152.43 23.02 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.378 -0.601 . . . . 72.230000000000004 109.378 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.8 t -70.72 112.77 7.2 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 123.446 0.466 . . . . 74.340000000000003 109.971 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -114.76 171.01 7.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.63 . . . . 62.530000000000001 109.438 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.737 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 78.6 m -130.53 145.69 51.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.817 -0.628 . . . . 45.240000000000002 110.783 -173.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -114.77 113.26 24.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.176 0.512 . . . . 64.040000000000006 110.119 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -118.74 167.57 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.58 -0.737 . . . . 63.210000000000001 110.06 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -101.16 126.1 47.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.353 -0.24 . . . . 74.200000000000003 110.353 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.966 -0.54 . . . . 63.219999999999999 109.829 175.744 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.677 0.275 . . . . 73.409999999999997 110.277 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 m -98.43 121.65 40.64 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.996 -0.372 . . . . 75.209999999999994 109.996 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 m -114.81 136.69 52.8 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 109.956 -0.387 . . . . 53.210000000000001 109.956 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 38.5 tt0 -114.84 130.96 56.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.267 -0.879 . . . . 75.400000000000006 109.978 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -129.35 -170.54 2.3 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.162 -1.051 . . . . 44.329999999999998 108.162 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 8.5 tt0 -114.63 153.37 30.29 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.672 -0.492 . . . . 73.040000000000006 109.672 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.3 p -114.66 100.09 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.265 0.555 . . . . 64.319999999999993 110.569 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.56 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 27.2 p-80 -88.01 -7.08 57.57 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.088 -0.505 . . . . 73.109999999999999 110.794 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' HG2' ' CD ' ' A' ' 27' ' ' GLU . 23.1 tptm -70.98 -20.5 62.42 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.235 -0.654 . . . . 60.140000000000001 109.235 174.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -91.14 108.67 20.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.225 -0.898 . . . . 72.329999999999998 109.794 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.35 105.42 9.59 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 110.205 -0.295 . . . . 41.399999999999999 110.205 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.75 178.54 15.45 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.401 -0.428 . . . . 63.520000000000003 112.876 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -81.84 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.025 2.483 . . . . 71.219999999999999 111.992 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.84 ' SG ' ' HG3' ' A' ' 39' ' ' ARG . 28.4 p -74.29 74.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.144 0.497 . . . . 72.150000000000006 110.142 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.95 62.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 73.409999999999997 110.639 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -149.92 124.86 9.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 60.549999999999997 109.858 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.96 -56.77 17.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.474 -0.33 . . . . 74.239999999999995 111.132 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -53.65 -43.03 68.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.24 -0.437 . . . . 72.409999999999997 110.41 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.32 -49.78 72.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 71.329999999999998 110.547 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.37 -46.7 83.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.646 -0.706 . . . . 72.209999999999994 110.225 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.8 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 72.349999999999994 110.757 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 26' ' ' THR . 16.0 t -59.6 -47.98 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.975 -0.557 . . . . 74.310000000000002 110.372 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.1 -48.31 86.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.372 0.606 . . . . 62.399999999999999 110.601 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 34.3 t -56.9 -34.08 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 71.129999999999995 110.019 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.5 mt-30 -84.74 -20.19 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.103 -0.498 . . . . 75.430000000000007 111.954 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 22' ' ' SER . 76.6 p -70.95 -27.95 64.12 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.492 -0.929 . . . . 74.129999999999995 108.492 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' CD ' ' HG2' ' A' ' 9' ' ' LYS . 38.7 mm-40 -71.21 -73.0 0.19 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.406 -0.815 . . . . 75.140000000000001 109.666 169.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 56.6 mtp85 -151.28 159.01 44.57 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.136 -0.69 . . . . 75.439999999999998 109.136 174.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.42 101.95 0.07 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.148 0.499 . . . . 70.409999999999997 111.058 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.471 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 53.9 m -158.4 115.22 2.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.604 -0.887 . . . . 61.340000000000003 108.604 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.08 154.54 10.11 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.854 -0.612 . . . . 71.129999999999995 112.315 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.03 113.27 2.91 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.91 -0.662 . . . . 42.119999999999997 112.587 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 33' ' ' ARG . 12.1 mmm180 -122.91 177.5 5.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 71.040000000000006 110.338 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 t -122.6 132.14 54.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.194 -0.457 . . . . 61.240000000000002 109.868 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.9 tpp180 -144.37 160.22 41.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 110.124 -0.325 . . . . 63.530000000000001 110.124 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.99 157.82 33.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.147 -0.549 . . . . 55.119999999999997 112.504 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -72.45 -18.19 61.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.096 0.474 . . . . 71.209999999999994 110.361 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -93.19 7.76 42.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.571 -0.741 . . . . 72.200000000000003 110.412 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.84 ' HG3' ' SG ' ' A' ' 14' ' ' CYS . 2.6 tpp180 60.58 42.95 13.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.697 -0.683 . . . . 73.430000000000007 110.65 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.56 ' NH2' ' HA ' ' A' ' 8' ' ' HIS . 18.1 tpt180 -83.83 151.01 25.38 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.59 -0.732 . . . . 72.230000000000004 111.346 -173.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 117.23 17.7 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.21 0.528 . . . . 74.340000000000003 111.74 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 10.0 m-85 -115.19 147.0 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.37 -0.832 . . . . 62.530000000000001 109.169 174.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 96.7 m -114.75 141.57 47.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.741 0.305 . . . . 45.240000000000002 110.777 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.6 p -114.56 115.43 27.18 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.331 -0.618 . . . . 64.040000000000006 109.331 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -122.85 169.01 11.55 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.825 0.345 . . . . 63.210000000000001 110.735 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -74.7 107.02 6.54 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.806 -0.634 . . . . 74.200000000000003 109.547 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.016 -0.993 . . . . 63.219999999999999 110.258 -171.736 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.722 0.296 . . . . 73.409999999999997 111.42 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -88.81 131.35 35.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.427 -0.582 . . . . 75.209999999999994 109.427 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -114.39 134.39 55.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.43 -0.35 . . . . 53.210000000000001 110.297 -174.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HB3' HG22 ' A' ' 44' ' ' THR . 12.8 pt-20 -114.52 158.41 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.291 0.567 . . . . 75.400000000000006 110.768 -178.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -145.78 -176.61 5.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.203 -1.036 . . . . 44.329999999999998 108.203 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -113.91 135.74 53.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.267 -0.642 . . . . 73.040000000000006 109.267 -173.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -114.63 100.01 7.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.382 0.611 . . . . 64.319999999999993 111.464 -167.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -98.51 10.72 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.377 -0.971 . . . . 73.109999999999999 108.377 168.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -64.14 -40.27 95.79 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.93 -1.032 . . . . 60.140000000000001 109.36 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.38 115.31 8.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.472 -0.936 . . . . 72.329999999999998 108.472 171.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -59.68 98.64 0.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.194 0.521 . . . . 41.399999999999999 111.476 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.61 -171.81 21.41 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.664 -0.698 . . . . 63.520000000000003 112.381 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.84 150.41 73.62 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.316 2.011 . . . . 71.219999999999999 111.191 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.37 100.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 72.150000000000006 111.199 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.37 84.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.365 -0.38 . . . . 73.409999999999997 110.746 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -152.79 130.18 11.35 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.883 -0.599 . . . . 60.549999999999997 110.307 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -52.7 -56.62 14.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.328 -0.851 . . . . 74.239999999999995 111.337 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -55.09 -33.58 62.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 111.083 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -72.64 -53.22 12.41 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.76 -0.654 . . . . 71.329999999999998 109.967 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -61.07 -34.51 75.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.09 0.471 . . . . 72.209999999999994 109.861 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -63.55 -52.47 60.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.591 -0.732 . . . . 72.349999999999994 110.141 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -55.44 -47.34 76.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 74.310000000000002 110.359 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -57.16 -48.65 81.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.724 -0.671 . . . . 62.399999999999999 110.958 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.16 -34.79 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 71.129999999999995 110.6 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.1 mt-30 -76.68 -30.22 56.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.058 -0.519 . . . . 75.430000000000007 110.911 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -76.08 -39.91 54.27 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.672 -0.24 . . . . 74.129999999999995 111.145 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.53 -44.41 71.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.437 -0.505 . . . . 75.140000000000001 111.362 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG3' ' H ' ' A' ' 29' ' ' PHE . 21.8 tpt180 -156.39 176.23 12.97 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.501 0.191 . . . . 75.439999999999998 111.118 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.506 ' H ' ' HG3' ' A' ' 28' ' ' ARG . 38.9 t80 -73.27 102.16 3.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.707 0.765 . . . . 70.409999999999997 110.153 172.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 p -177.03 114.79 0.1 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.97 -1.468 . . . . 61.340000000000003 110.029 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.29 145.29 38.96 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.865 -0.894 . . . . 71.129999999999995 110.865 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.533 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.53 148.89 18.85 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.514 -0.851 . . . . 42.119999999999997 112.759 -174.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -158.69 143.42 15.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.654 -0.869 . . . . 71.040000000000006 108.654 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.7 m -114.19 132.54 56.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.685 -0.487 . . . . 61.240000000000002 109.685 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 108.83 1.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.483 -0.562 . . . . 63.530000000000001 109.483 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.45 -103.85 1.78 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.956 -0.858 . . . . 55.119999999999997 110.956 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -132.63 -68.12 0.62 Allowed 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 122.546 0.338 . . . . 71.209999999999994 110.541 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -135.49 88.76 2.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.429 0.633 . . . . 72.200000000000003 111.85 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 10.3 ptp85 -149.95 -45.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.364 -0.834 . . . . 73.430000000000007 109.719 172.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 14.3 tpp180 -159.55 140.6 12.61 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.03 -0.532 . . . . 72.230000000000004 109.64 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.4 t -103.92 148.3 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.714 -0.476 . . . . 74.340000000000003 109.714 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -134.75 155.32 50.78 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.427 0.454 . . . . 62.530000000000001 110.297 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -124.69 149.87 46.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 45.240000000000002 110.356 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 4' ' ' GLU . 24.1 p -131.51 130.21 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 64.040000000000006 110.402 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -131.1 178.86 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.212 -0.449 . . . . 63.210000000000001 110.031 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -97.19 128.49 44.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 74.200000000000003 111.024 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.782 -0.628 . . . . 63.219999999999999 109.962 173.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.134 -0.321 . . . . 73.409999999999997 110.134 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 m -103.55 128.85 50.71 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.393 -0.595 . . . . 75.209999999999994 109.393 173.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m -128.9 144.49 51.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 53.210000000000001 110.973 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 124.77 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.597 -0.729 . . . . 75.400000000000006 110.166 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -112.96 -176.19 2.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.236 -0.653 . . . . 44.329999999999998 109.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -117.83 141.95 47.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.819 0.342 . . . . 73.040000000000006 110.22 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 p -114.74 108.82 17.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.929 -0.578 . . . . 64.319999999999993 110.176 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -104.14 -3.24 24.7 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.695 -0.684 . . . . 73.109999999999999 109.631 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -66.38 -28.15 68.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.593 -0.73 . . . . 60.140000000000001 111.163 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.2 102.38 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.164 -0.68 . . . . 72.329999999999998 109.164 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -75.98 142.29 41.96 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.854 -0.612 . . . . 41.399999999999999 111.35 -172.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.15 -158.13 25.46 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 116.141 -0.481 . . . . 63.520000000000003 112.233 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -87.25 177.98 3.66 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.235 2.624 . . . . 71.219999999999999 111.416 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.9 t -75.19 75.42 2.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 72.150000000000006 109.351 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.34 83.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.579 -0.737 . . . . 73.409999999999997 111.291 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.1 t -160.04 130.36 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.172 -0.467 . . . . 60.549999999999997 110.284 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -63.16 -40.16 96.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.492 . . . . 74.239999999999995 110.074 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -64.49 -37.55 87.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.508 -0.769 . . . . 72.409999999999997 109.743 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -75.46 -38.31 59.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.652 -0.704 . . . . 71.329999999999998 110.747 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.3 t -55.89 -48.29 75.88 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 109.546 -0.538 . . . . 72.209999999999994 109.546 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 32' ' ' GLY . . . -61.31 -47.48 85.74 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.507 -0.77 . . . . 72.349999999999994 110.681 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 t -55.17 -53.48 55.44 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.797 -0.638 . . . . 74.310000000000002 110.723 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.94 -52.96 48.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.943 -0.572 . . . . 62.399999999999999 110.57 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -56.13 -41.49 75.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 71.129999999999995 110.561 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -72.47 -36.58 68.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.553 -0.294 . . . . 75.430000000000007 111.462 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -67.97 -27.48 66.63 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.926 0.393 . . . . 74.129999999999995 110.22 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -75.25 -53.71 8.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.077 -0.511 . . . . 75.140000000000001 110.371 173.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.4 148.52 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 75.439999999999998 109.825 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.32 102.93 0.34 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.561 0.696 . . . . 70.409999999999997 109.842 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 49.8 m -162.98 113.18 1.4 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.397 -1.274 . . . . 61.340000000000003 109.492 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.08 117.51 10.46 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 111.283 -0.727 . . . . 71.129999999999995 111.283 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -114.37 132.03 10.23 Favored Glycine 0 C--N 1.328 0.128 0 C-N-CA 120.525 -0.845 . . . . 42.119999999999997 113.169 -168.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 2.8 mmp_? -120.53 176.07 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.578 -0.527 . . . . 71.040000000000006 109.578 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 t -114.75 149.13 37.38 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.985 0.422 . . . . 61.240000000000002 110.449 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.777 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 4.4 tpm_? -123.38 120.89 34.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 63.530000000000001 109.497 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 37' ' ' PHE . . . 71.93 -106.47 1.93 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.456 -0.658 . . . . 55.119999999999997 111.456 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 57.0 t80 176.93 -35.71 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.83 0.348 . . . . 71.209999999999994 110.401 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -52.35 -53.9 38.71 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.865 -0.607 . . . . 72.200000000000003 111.314 -175.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 178.61 84.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 110.132 -0.321 . . . . 73.430000000000007 110.132 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.777 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -159.24 130.59 6.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.462 -0.336 . . . . 72.230000000000004 110.494 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.07 137.17 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 74.340000000000003 109.79 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -129.57 133.13 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.391 -0.368 . . . . 62.530000000000001 110.092 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 79.2 m -115.02 144.21 43.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.112 -0.494 . . . . 45.240000000000002 110.63 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -120.7 135.67 55.07 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.295 -0.411 . . . . 64.040000000000006 110.112 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -147.09 170.16 17.74 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.959 -0.564 . . . . 63.210000000000001 110.468 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -82.76 110.09 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.829 -0.623 . . . . 74.200000000000003 109.972 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.247 0.961 0 N-CA-C 108.965 -0.754 . . . . 63.219999999999999 108.965 175.353 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 1' ' ' ARG . 19.2 ptt-85 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.488 -0.19 . . . . 73.409999999999997 110.488 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -97.1 133.84 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.321 -0.622 . . . . 75.209999999999994 109.321 172.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -114.48 109.0 17.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.732 -0.47 . . . . 53.210000000000001 109.732 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -125.18 125.48 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.392 0.615 . . . . 75.400000000000006 110.832 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -104.91 177.01 4.97 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.027 -0.988 . . . . 44.329999999999998 108.414 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -114.45 135.54 53.99 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.811 -0.811 . . . . 73.040000000000006 108.811 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.407 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 23.1 t -114.56 99.51 7.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.525 0.678 . . . . 64.319999999999993 110.291 -175.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -96.19 9.79 39.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 73.109999999999999 108.933 172.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.03 -0.986 . . . . 60.140000000000001 108.913 168.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -73.82 154.28 39.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.104 -0.953 . . . . 72.329999999999998 109.169 172.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -77.4 80.56 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.129 0.49 . . . . 41.399999999999999 111.484 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.67 -134.99 14.81 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 115.503 -0.771 . . . . 63.520000000000003 113.074 175.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.25 166.09 29.37 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.24 2.627 . . . . 71.219999999999999 112.304 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 44.5 t -73.81 86.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 72.150000000000006 110.752 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -16.25 61.51 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.888 -0.596 . . . . 73.409999999999997 110.472 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.5 t -164.26 119.46 1.51 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.431 -0.804 . . . . 60.549999999999997 109.952 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 4.9 p-10 -62.48 -39.61 94.01 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 110.105 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -62.74 -42.41 99.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 72.409999999999997 110.199 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -68.59 -48.98 62.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.875 -0.602 . . . . 71.329999999999998 110.01 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.44 -49.27 55.44 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.271 0.558 . . . . 72.209999999999994 110.21 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -58.99 -54.91 41.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.333 -0.849 . . . . 72.349999999999994 111.238 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 26' ' ' THR . 12.4 t -56.64 -42.75 79.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 74.310000000000002 110.922 -175.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 64.6 t -60.69 -55.45 24.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.025 0.44 . . . . 62.399999999999999 110.406 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.7 -31.65 70.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.081 -0.509 . . . . 71.129999999999995 110.781 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -74.96 -33.89 61.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 111.491 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 22' ' ' SER . 29.7 p -75.21 -33.92 61.44 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.088 -0.245 . . . . 74.129999999999995 110.547 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 45.7 mt-10 -63.08 -48.73 77.37 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 110.122 -0.325 . . . . 75.140000000000001 110.122 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 28' ' ' ARG . 17.1 mtp180 -164.9 177.21 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.63 0.772 . . . . 75.439999999999998 109.806 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -69.05 101.56 1.44 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 122.06 0.933 . . . . 70.409999999999997 109.919 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -163.6 115.1 1.41 Allowed 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 113.869 -1.514 . . . . 61.340000000000003 108.364 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.69 168.44 13.3 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.106 -0.569 . . . . 71.129999999999995 112.077 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.74 153.92 17.32 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.953 -0.641 . . . . 42.119999999999997 112.087 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -151.82 159.25 43.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.694 -0.484 . . . . 71.040000000000006 109.694 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 83.1 m -137.54 100.23 4.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.511 -0.922 . . . . 61.240000000000002 108.511 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 71.6 ttt180 -92.42 152.2 19.84 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.468 -0.787 . . . . 63.530000000000001 111.603 -168.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.02 66.45 2.16 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.317 -0.856 . . . . 55.119999999999997 112.099 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.0 t80 64.35 35.79 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.83 0.824 . . . . 71.209999999999994 109.474 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 15.1 mmt180 63.52 20.46 12.26 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.292 -0.867 . . . . 72.200000000000003 111.86 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -71.81 -48.51 45.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.449 0.537 . . . . 73.430000000000007 112.449 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.1 tpp180 -121.42 142.87 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 122.113 -0.367 . . . . 72.230000000000004 111.93 -171.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 13.5 t -78.99 128.65 33.54 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.752 -0.658 . . . . 74.340000000000003 111.273 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 45.6 m-85 -129.13 160.57 32.43 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.94 0.896 . . . . 62.530000000000001 109.066 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -115.46 134.44 55.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.958 -0.386 . . . . 45.240000000000002 109.958 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -114.65 132.65 56.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.628 0.251 . . . . 64.040000000000006 110.77 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -156.12 -179.96 8.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.746 -0.464 . . . . 63.210000000000001 109.746 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -106.9 109.56 21.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.561 -0.533 . . . . 74.200000000000003 109.561 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 118.444 -0.789 . . . . 63.219999999999999 109.954 179.577 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.832 0.349 . . . . 73.409999999999997 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.9 m -82.86 130.7 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 75.209999999999994 110.385 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.7 m -114.64 135.62 53.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.355 -0.609 . . . . 53.210000000000001 109.355 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -114.74 123.42 49.2 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.347 0.594 . . . . 75.400000000000006 111.188 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 p -105.61 176.02 5.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.33 -0.85 . . . . 44.329999999999998 109.255 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -114.72 154.4 28.55 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.712 -0.847 . . . . 73.040000000000006 108.712 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -114.68 99.7 7.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.5 0.667 . . . . 64.319999999999993 110.008 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -87.42 -5.4 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.082 -1.081 . . . . 73.109999999999999 108.082 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.62 -47.91 82.78 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.688 -1.142 . . . . 60.140000000000001 108.87 172.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -69.77 130.74 43.15 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.849 -1.069 . . . . 72.329999999999998 109.235 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -102.46 102.5 12.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.279 -0.419 . . . . 41.399999999999999 111.25 -172.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.97 -172.45 15.79 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.633 -0.712 . . . . 63.520000000000003 112.018 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.02 146.81 37.58 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 71.219999999999999 110.676 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.698 ' SG ' ' HB3' ' A' ' 39' ' ' ARG . 29.1 p -70.47 78.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.198 0.523 . . . . 72.150000000000006 110.35 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.65 66.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.703 -0.68 . . . . 73.409999999999997 111.125 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -126.36 114.84 18.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.208 -0.451 . . . . 60.549999999999997 110.186 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -58.0 -51.97 67.46 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.913 -0.585 . . . . 74.239999999999995 111.409 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -58.6 -42.35 87.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.841 0.353 . . . . 72.409999999999997 110.686 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 23' ' ' VAL . 25.5 t-20 -62.83 -58.82 6.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.639 -0.709 . . . . 71.329999999999998 110.635 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -52.37 -49.16 64.95 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.101 -0.499 . . . . 72.209999999999994 110.927 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.95 -55.42 30.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.43 -0.805 . . . . 72.349999999999994 110.486 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.8 t -57.65 -41.81 82.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.310000000000002 110.735 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 19' ' ' ASN . 54.9 t -56.12 -46.79 81.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.379 -0.373 . . . . 62.399999999999999 110.325 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 30' ' ' SER . 43.0 t -60.9 -46.79 89.23 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.566 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.35 -31.08 71.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.631 -0.258 . . . . 75.430000000000007 111.532 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.3 p -83.08 -27.41 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.578 0.228 . . . . 74.129999999999995 111.221 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -77.23 -39.67 47.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.498 -0.319 . . . . 75.140000000000001 110.63 -178.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.541 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 4.8 mmp_? -157.18 -171.86 3.79 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.092 0.472 . . . . 75.439999999999998 110.909 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.3 83.58 3.89 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.109 -0.7 . . . . 70.409999999999997 109.109 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 55.5 m -161.92 119.38 2.18 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.317 -1.31 . . . . 61.340000000000003 108.258 -175.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.17 138.43 47.71 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.742 -0.663 . . . . 71.129999999999995 111.636 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.18 11.57 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.933 -0.651 . . . . 42.119999999999997 112.901 -173.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.26 -179.38 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.561 0.744 . . . . 71.040000000000006 109.514 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 70.9 m -114.06 130.3 56.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 61.240000000000002 110.179 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -139.27 131.23 27.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.831 -0.803 . . . . 63.530000000000001 108.831 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.446 ' N ' ' HD3' ' A' ' 35' ' ' ARG . . . 117.01 162.34 12.62 Favored Glycine 0 C--N 1.33 0.212 0 N-CA-C 111.875 -0.49 . . . . 55.119999999999997 111.875 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -68.57 -30.98 69.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.328 0.585 . . . . 71.209999999999994 110.358 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 12.8 tpt180 -89.7 5.84 44.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 72.200000000000003 110.74 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.698 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.9 mtp180 54.73 65.76 1.42 Allowed 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.348 0.594 . . . . 73.430000000000007 110.717 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -83.82 133.49 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.397 -0.82 . . . . 72.230000000000004 109.095 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.627 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 58.9 m -67.13 116.54 8.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 74.340000000000003 110.96 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -116.03 147.01 41.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 62.530000000000001 109.809 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.2 m -115.31 152.55 32.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.593 . . . . 45.240000000000002 110.581 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -135.04 128.16 31.77 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.184 -0.462 . . . . 64.040000000000006 110.614 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -136.63 -179.89 5.96 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.614 -0.721 . . . . 63.210000000000001 109.753 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -103.9 138.92 39.78 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.784 -0.189 . . . . 74.200000000000003 110.514 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.067 -0.492 . . . . 63.219999999999999 110.12 176.165 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 110.172 -0.307 . . . . 73.409999999999997 110.172 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.6 m -106.63 145.17 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.88 0.371 . . . . 75.209999999999994 110.189 176.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HB2' HG23 ' A' ' 45' ' ' THR . 35.2 m -114.76 114.02 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.252 -0.647 . . . . 53.210000000000001 109.252 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -114.71 127.84 55.98 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.158 0.504 . . . . 75.400000000000006 109.968 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 m -125.26 178.28 5.67 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.387 -0.968 . . . . 44.329999999999998 108.387 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -114.28 152.51 31.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.877 -0.786 . . . . 73.040000000000006 108.877 -176.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.477 ' OG ' ' SG ' ' A' ' 43' ' ' CYS . 2.1 m -113.75 99.55 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.262 0.553 . . . . 64.319999999999993 110.314 -172.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -93.5 3.04 56.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.429 -0.805 . . . . 73.109999999999999 109.672 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.21 -32.51 63.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.569 -0.742 . . . . 60.140000000000001 109.387 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -78.72 118.11 20.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.827 -0.805 . . . . 72.329999999999998 108.827 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -86.9 113.71 22.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.132 0.491 . . . . 41.399999999999999 110.617 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.55 175.38 37.11 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.273 -0.876 . . . . 63.520000000000003 112.136 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.32 164.46 35.57 Favored 'Trans proline' 0 C--O 1.239 0.546 0 C-N-CA 122.508 2.139 . . . . 71.219999999999999 111.764 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 95.3 m -60.69 93.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 72.150000000000006 111.829 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -29.48 69.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.77 -0.65 . . . . 73.409999999999997 109.382 169.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -148.35 123.67 10.27 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.212 -0.904 . . . . 60.549999999999997 110.134 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.68 -33.12 71.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.28 -0.418 . . . . 74.239999999999995 110.104 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.34 -52.18 59.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.664 -0.698 . . . . 72.409999999999997 110.086 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.54 -47.64 84.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.39 -0.823 . . . . 71.329999999999998 110.052 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -58.32 -50.3 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 72.209999999999994 110.795 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.552 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.59 -44.89 95.72 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 72.349999999999994 110.463 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -57.68 -39.58 77.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 74.310000000000002 109.947 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 t -63.15 -46.81 94.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.538 -0.755 . . . . 62.399999999999999 110.877 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.75 -42.17 71.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.91 0.386 . . . . 71.129999999999995 110.297 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 92.5 mt-30 -65.45 -43.01 91.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.824 -0.626 . . . . 75.430000000000007 111.199 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -68.23 -31.47 71.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 74.129999999999995 110.952 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.05 -66.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 75.140000000000001 110.264 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -155.21 -173.99 4.79 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.438 0.295 . . . . 75.439999999999998 110.383 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -72.1 85.41 1.02 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.729 0.776 . . . . 70.409999999999997 109.821 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.8 m -158.75 117.05 2.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.642 -1.163 . . . . 61.340000000000003 108.326 -174.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.23 172.33 4.59 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.427 -0.669 . . . . 71.129999999999995 111.427 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -127.94 149.68 18.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.43 -0.89 . . . . 42.119999999999997 112.663 -177.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -156.39 148.84 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.624 -0.51 . . . . 71.040000000000006 109.624 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.83 110.93 20.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.992 -0.744 . . . . 61.240000000000002 108.992 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.644 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 5.2 ppt_? -132.54 133.0 43.19 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.504 0.669 . . . . 63.530000000000001 111.165 -173.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.99 155.0 9.3 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 110.521 -1.032 . . . . 55.119999999999997 110.521 -173.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -68.26 -24.03 64.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.203 0.525 . . . . 71.209999999999994 110.729 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -83.94 -0.53 51.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.634 . . . . 72.200000000000003 110.53 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.616 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 56.42 70.07 0.68 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.649 -0.501 . . . . 73.430000000000007 109.649 -172.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -93.88 133.31 37.43 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.011 -0.54 . . . . 72.230000000000004 110.702 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.583 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.5 m -72.94 124.7 25.96 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.58 -0.737 . . . . 74.340000000000003 112.239 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 88.5 m-85 -128.47 144.63 51.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.168 -0.924 . . . . 62.530000000000001 109.244 173.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.477 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 36.6 m -114.67 134.62 54.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.966 -0.753 . . . . 45.240000000000002 108.966 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -114.73 116.05 28.03 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.265 0.555 . . . . 64.040000000000006 111.681 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 3' ' ' CYS . 8.2 t -121.67 -179.84 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.763 -0.829 . . . . 63.210000000000001 108.763 174.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -117.57 16.49 14.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.646 0.26 . . . . 74.200000000000003 110.63 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.395 -0.821 . . . . 63.219999999999999 111.456 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.924 -0.399 . . . . 73.409999999999997 109.924 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.9 m -147.92 147.54 29.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 75.209999999999994 110.756 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -129.24 127.03 40.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.55 -0.537 . . . . 53.210000000000001 109.55 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.636 ' HB3' HG22 ' A' ' 44' ' ' THR . 8.8 pt-20 -128.79 126.36 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 75.400000000000006 110.269 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -123.83 -176.49 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.714 -0.675 . . . . 44.329999999999998 109.744 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.502 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 8.3 tt0 -114.62 133.59 55.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.781 0.324 . . . . 73.040000000000006 110.2 -174.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 t -114.79 120.33 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 64.319999999999993 110.413 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -102.7 10.17 38.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.326 -0.62 . . . . 73.109999999999999 109.326 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.2 -35.47 79.69 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.817 -0.629 . . . . 60.140000000000001 109.532 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.67 -178.98 1.61 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.102 -0.954 . . . . 72.329999999999998 109.337 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.28 36.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.195 0.443 . . . . 41.399999999999999 112.195 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.87 -111.32 3.66 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-O 119.77 -0.461 . . . . 63.520000000000003 112.12 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.63 100.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.64 2.227 . . . . 71.219999999999999 111.5 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.8 t -48.12 108.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 72.150000000000006 111.88 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.34 69.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.757 -0.656 . . . . 73.409999999999997 110.296 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -143.03 121.95 12.75 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.857 -0.61 . . . . 60.549999999999997 110.844 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.771 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 14.6 t70 -55.32 -44.14 75.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.357 -0.838 . . . . 74.239999999999995 110.363 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.81 -41.4 82.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.705 -0.68 . . . . 72.409999999999997 110.806 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.91 -45.39 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 110.533 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.62 -42.03 91.77 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.279 -0.637 . . . . 72.209999999999994 109.279 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.89 -52.09 66.54 Favored 'General case' 0 CA--C 1.523 -0.063 0 CA-C-N 115.426 -0.806 . . . . 72.349999999999994 110.876 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 26' ' ' THR . 26.8 t -55.4 -45.95 76.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 74.310000000000002 110.311 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -57.5 -58.36 6.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.985 -0.552 . . . . 62.399999999999999 110.73 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.92 -31.99 70.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.267 -0.424 . . . . 71.129999999999995 111.137 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -79.02 -32.97 45.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.466 -0.334 . . . . 75.430000000000007 111.391 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 22' ' ' SER . 24.9 p -69.19 -37.5 78.17 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.558 -0.534 . . . . 74.129999999999995 109.558 177.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -55.78 -67.35 0.3 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.152 -0.477 . . . . 75.140000000000001 111.01 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtm-85 -149.94 -176.84 5.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.696 -0.684 . . . . 75.439999999999998 110.404 -173.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.95 100.16 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.944 0.878 . . . . 70.409999999999997 109.296 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 p -172.85 115.25 0.28 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.654 -1.612 . . . . 61.340000000000003 109.837 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.04 146.47 43.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.104 -0.799 . . . . 71.129999999999995 111.104 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.29 141.77 17.18 Favored Glycine 0 CA--C 1.507 -0.451 0 C-N-CA 120.523 -0.846 . . . . 42.119999999999997 111.343 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -143.92 150.51 38.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.343 -0.614 . . . . 71.040000000000006 109.343 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.771 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.3 m -114.77 100.13 8.01 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.136 -0.69 . . . . 61.240000000000002 109.136 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -112.7 153.74 27.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.256 -0.884 . . . . 63.530000000000001 110.663 -169.677 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.46 148.53 8.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.34 -0.457 . . . . 55.119999999999997 112.05 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -58.35 -22.36 53.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.163 0.506 . . . . 71.209999999999994 110.799 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -76.51 0.96 18.03 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.738 -0.665 . . . . 72.200000000000003 111.137 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 61.18 42.44 12.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.013 0.435 . . . . 73.430000000000007 109.981 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 5.5 tpp85 -79.33 131.03 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 72.230000000000004 111.225 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.12 123.84 29.33 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.431 . . . . 74.340000000000003 111.474 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -122.87 146.6 47.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.713 -0.676 . . . . 62.530000000000001 110.458 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 35.8 m -114.88 132.28 56.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 45.240000000000002 109.712 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 4' ' ' GLU . 27.9 p -121.68 122.22 39.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 64.040000000000006 110.612 -173.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -137.28 176.58 8.58 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.81 -0.441 . . . . 63.210000000000001 109.81 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -101.2 124.38 46.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.598 0.237 . . . . 74.200000000000003 111.434 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.1 m . . . . . 0 C--O 1.248 0.994 0 N-CA-C 109.279 -0.637 . . . . 63.219999999999999 109.279 170.328 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 1' ' ' ARG . 12.0 mmt180 . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.057 -0.349 . . . . 73.409999999999997 110.057 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.6 m -109.26 146.93 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 75.209999999999994 110.968 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -114.76 148.74 37.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.94 -0.763 . . . . 53.210000000000001 108.94 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 169.76 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.835 0.35 . . . . 75.400000000000006 110.558 -177.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -159.04 170.83 21.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 44.329999999999998 109.334 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -117.83 130.75 56.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.83 0.348 . . . . 73.040000000000006 110.561 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 65.1 m -114.57 99.39 7.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.489 . . . . 64.319999999999993 111.918 -177.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -103.26 14.89 30.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.035 -1.098 . . . . 73.109999999999999 108.035 166.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 1.3 mptp? -60.67 -27.65 68.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 114.619 -1.173 . . . . 60.140000000000001 109.111 175.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.9 102.8 11.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.395 -1.275 . . . . 72.329999999999998 109.236 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HD3' ' H ' ' A' ' 11' ' ' LYS . 3.0 mppt? -72.44 124.1 24.47 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.485 -0.325 . . . . 41.399999999999999 110.558 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -171.47 21.62 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 115.892 -0.594 . . . . 63.520000000000003 112.087 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 138.6 66.58 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.574 2.183 . . . . 71.219999999999999 111.647 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.62 87.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.134 0.492 . . . . 72.150000000000006 110.238 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.16 25.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.459 -0.791 . . . . 73.409999999999997 111.965 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -146.41 141.17 26.9 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 120.999 0.428 . . . . 60.549999999999997 111.635 -174.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.433 ' CG ' HH21 ' A' ' 33' ' ' ARG . 4.8 m-20 -57.9 -41.64 83.02 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.418 -0.81 . . . . 74.239999999999995 109.675 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -51.47 -47.07 63.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.271 -0.877 . . . . 72.409999999999997 110.397 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.31 -50.88 27.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.194 -0.912 . . . . 71.329999999999998 110.636 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -60.83 -39.05 87.57 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.026 0.441 . . . . 72.209999999999994 110.079 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.82 78.44 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.883 -0.599 . . . . 72.349999999999994 110.591 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 26' ' ' THR . 35.7 t -55.47 -49.18 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 74.310000000000002 110.034 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.74 -49.31 85.06 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.547 -0.752 . . . . 62.399999999999999 110.716 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.24 -36.69 71.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.523 -0.762 . . . . 71.129999999999995 110.28 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.1 mt-30 -76.8 -29.13 55.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.792 -0.64 . . . . 75.430000000000007 111.294 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 22' ' ' SER . 40.0 p -71.24 -29.59 65.3 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.739 -0.467 . . . . 74.129999999999995 109.739 176.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HB3' ' HD3' ' A' ' 28' ' ' ARG . 8.4 mt-10 -68.02 -73.24 0.15 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.257 -0.577 . . . . 75.140000000000001 110.376 169.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -141.26 176.31 8.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.916 0.388 . . . . 75.439999999999998 110.215 179.014 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -66.8 110.76 3.41 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.159 0.504 . . . . 70.409999999999997 110.045 172.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.586 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 3.4 p -173.94 112.76 0.19 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.915 -1.039 . . . . 61.340000000000003 110.492 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 149.25 51.65 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.908 -0.587 . . . . 71.129999999999995 111.711 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.85 150.18 18.74 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 42.119999999999997 113.332 -172.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.433 HH21 ' CG ' ' A' ' 17' ' ' ASP . 4.5 tpm_? -151.6 149.59 29.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.004 -1.109 . . . . 71.040000000000006 108.004 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.826 ' SG ' ' HA ' ' A' ' 38' ' ' ARG . 39.7 t -114.18 113.37 24.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.919 0.39 . . . . 61.240000000000002 110.278 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -117.59 -168.41 1.49 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.646 -0.706 . . . . 63.530000000000001 110.346 -174.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.73 76.16 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 111.988 -0.445 . . . . 55.119999999999997 111.988 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.0 t80 56.19 57.91 4.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.498 0.666 . . . . 71.209999999999994 109.775 -172.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.826 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 81.5 mtt180 61.5 28.15 17.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.152 -0.931 . . . . 72.200000000000003 111.637 173.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -127.65 -7.95 5.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.001 -0.545 . . . . 73.430000000000007 111.345 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 43.0 ttt180 -138.67 99.07 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 72.230000000000004 110.101 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.7 131.8 34.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.498 -0.319 . . . . 74.340000000000003 110.363 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 74.8 m-85 -116.77 157.24 25.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.002 0.429 . . . . 62.530000000000001 110.474 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 86.5 m -124.83 157.36 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 45.240000000000002 110.326 176.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 p -132.93 124.08 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.896 -0.593 . . . . 64.040000000000006 109.885 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -126.89 162.55 25.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.25 -0.432 . . . . 63.210000000000001 110.51 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -97.82 114.64 26.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 74.200000000000003 109.653 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.108 -0.472 . . . . 63.219999999999999 109.847 177.057 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 110.17 -0.307 . . . . 73.409999999999997 110.17 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.1 m -144.56 124.91 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 75.209999999999994 110.264 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.8 m -114.73 108.3 16.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 53.210000000000001 110.358 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.661 ' HB3' HG22 ' A' ' 44' ' ' THR . 12.6 pt-20 -114.85 111.86 21.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.471 0.653 . . . . 75.400000000000006 110.539 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -94.35 -164.97 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.857 -1.065 . . . . 44.329999999999998 108.913 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.517 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 21.2 tm0? -113.85 159.28 20.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.226 -1.027 . . . . 73.040000000000006 108.226 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 1.4 m -113.38 99.64 7.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.392 0.615 . . . . 64.319999999999993 110.754 -169.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -88.61 -4.38 58.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.303 -0.862 . . . . 73.109999999999999 110.396 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.64 -21.47 23.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.855 -0.611 . . . . 60.140000000000001 111.649 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -78.47 151.86 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.66 -0.496 . . . . 72.329999999999998 109.66 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.41 92.41 5.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.997 0.903 . . . . 41.399999999999999 110.196 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.24 -148.47 34.38 Favored Glycine 0 C--N 1.307 -1.068 0 CA-C-N 113.906 -1.497 . . . . 63.520000000000003 112.34 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -80.92 -173.2 1.75 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.757 2.305 . . . . 71.219999999999999 111.548 176.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.9 m -68.84 84.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 72.150000000000006 111.247 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.6 -26.19 64.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.419 0.628 . . . . 73.409999999999997 109.937 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -151.97 111.4 3.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.314 -0.857 . . . . 60.549999999999997 108.936 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.533 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 2.6 m-20 -54.93 -47.78 73.98 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.352 0.407 . . . . 74.239999999999995 111.072 -173.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -59.97 -42.82 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 72.409999999999997 110.456 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.94 -49.41 72.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 71.329999999999998 109.953 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -57.8 -44.02 86.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.522 -0.763 . . . . 72.209999999999994 110.433 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -59.92 -49.32 78.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 72.349999999999994 110.64 177.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -58.95 -44.75 91.48 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.258 0.552 . . . . 74.310000000000002 110.37 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.89 -43.97 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.634 -0.712 . . . . 62.399999999999999 110.352 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 98.5 m -69.45 -22.16 63.67 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.393 -0.367 . . . . 71.129999999999995 111.184 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 76.7 mt-30 -73.04 -37.07 67.0 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.852 0.358 . . . . 75.430000000000007 110.326 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -77.86 -24.65 48.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.185 0.517 . . . . 74.129999999999995 111.223 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.603 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 35.2 mm-40 -85.71 -70.26 0.61 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.901 -0.591 . . . . 75.140000000000001 111.459 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.603 ' NH1' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.88 -179.09 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 75.439999999999998 111.253 -176.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -86.45 -51.23 6.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.737 -0.665 . . . . 70.409999999999997 112.407 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.557 ' H ' ' HA ' ' A' ' 45' ' ' THR . 16.3 m -86.88 -23.98 25.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.655 0.613 . . . . 61.340000000000003 112.655 -169.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.535 ' HA2' ' HG2' ' A' ' 25' ' ' GLN . . . 137.3 -138.57 9.82 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.24 -0.981 . . . . 71.129999999999995 112.846 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -144.62 -179.86 21.32 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.242 -0.504 . . . . 42.119999999999997 113.254 -174.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 6.2 tpp180 -158.38 147.67 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.905 0.482 . . . . 71.040000000000006 109.874 -175.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.7 m -126.67 119.73 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.701 -0.852 . . . . 61.240000000000002 108.701 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -170.0 160.36 8.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.032 0.444 . . . . 63.530000000000001 111.9 -168.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.67 -129.4 9.84 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.572 -0.74 . . . . 55.119999999999997 114.609 165.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 39.2 m-85 -56.06 102.89 0.08 Allowed 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.211 0.604 . . . . 71.209999999999994 111.758 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 57.25 29.02 16.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.847 -0.615 . . . . 72.200000000000003 111.18 175.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 66.31 64.77 0.51 Allowed 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.544 -0.91 . . . . 73.430000000000007 108.544 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HE ' ' NE2' ' A' ' 6' ' ' GLN . 11.9 tpt180 -86.06 153.31 22.21 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.912 -1.04 . . . . 72.230000000000004 111.468 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.3 m -79.25 123.26 27.27 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.404 -0.816 . . . . 74.340000000000003 111.338 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 66.8 m-85 -122.76 148.25 45.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.144 -0.935 . . . . 62.530000000000001 108.861 175.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.452 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 79.8 m -117.11 143.28 45.97 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 45.240000000000002 109.763 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 4' ' ' GLU . 77.8 p -114.66 134.05 55.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.775 0.321 . . . . 64.040000000000006 110.262 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.557 ' HA ' ' H ' ' A' ' 30' ' ' SER . 6.8 t -139.56 170.8 15.25 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.211 -0.45 . . . . 63.210000000000001 110.067 -178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -91.36 136.63 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 74.200000000000003 110.748 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--O 1.247 0.923 0 N-CA-C 109.128 -0.693 . . . . 63.219999999999999 109.128 171.876 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.1 0.476 . . . . 73.409999999999997 110.525 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.2 m -126.62 124.31 39.61 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.803 -0.635 . . . . 75.209999999999994 109.77 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.541 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 78.8 m -114.66 154.66 28.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.267 -0.271 . . . . 53.210000000000001 110.267 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -114.87 157.91 22.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.906 0.384 . . . . 75.400000000000006 110.433 177.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -151.12 177.39 10.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.995 -0.548 . . . . 44.329999999999998 110.216 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.416 ' NE2' ' HG2' ' A' ' 40' ' ' ARG . 5.2 tp-100 -114.52 136.8 52.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.91 -0.404 . . . . 73.040000000000006 109.91 -177.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.6 t -126.56 114.54 18.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.108 0.48 . . . . 64.319999999999993 110.816 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -97.21 11.14 37.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.093 -0.706 . . . . 73.109999999999999 109.093 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -68.72 -40.35 79.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.02 -0.991 . . . . 60.140000000000001 109.988 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 14' ' ' CYS . 55.6 t80 -65.23 108.04 1.77 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.718 -0.845 . . . . 72.329999999999998 108.718 175.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -76.96 110.99 12.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.896 -0.593 . . . . 41.399999999999999 111.078 -171.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.55 162.46 30.27 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.231 -0.895 . . . . 63.520000000000003 111.798 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.63 139.12 79.45 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.329 2.019 . . . . 71.219999999999999 111.065 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 27.0 p -68.1 97.72 0.72 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.5 0.666 . . . . 72.150000000000006 110.671 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -29.88 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.34 -0.845 . . . . 73.409999999999997 110.895 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -144.74 127.46 16.22 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.975 -0.557 . . . . 60.549999999999997 110.623 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.74 -28.46 63.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 74.239999999999995 110.198 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -52.47 -57.78 8.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.862 -0.608 . . . . 72.409999999999997 110.26 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.59 -46.72 84.53 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.181 -0.918 . . . . 71.329999999999998 110.124 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.99 -46.8 78.59 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.466 -0.788 . . . . 72.209999999999994 110.548 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.29 84.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 72.349999999999994 111.181 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 t -58.21 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 74.310000000000002 110.573 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.53 -50.33 80.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.222 0.534 . . . . 62.399999999999999 110.168 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -56.57 -29.61 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 71.129999999999995 111.08 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.12 -48.39 24.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.462 0.172 . . . . 75.430000000000007 110.698 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.8 p -59.4 -29.16 67.54 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.906 -0.318 . . . . 74.129999999999995 110.464 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -80.75 -56.06 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.152 0.501 . . . . 75.140000000000001 110.409 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -126.27 92.79 3.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.582 -0.735 . . . . 75.439999999999998 110.215 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -61.61 88.1 0.02 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.085 0.469 . . . . 70.409999999999997 110.806 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -164.75 -89.46 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.365 -0.834 . . . . 61.340000000000003 110.374 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.5 150.85 23.14 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.356 -0.926 . . . . 71.129999999999995 112.688 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.61 148.01 19.36 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.438 -0.665 . . . . 42.119999999999997 111.438 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' HG3' ' H ' ' A' ' 34' ' ' CYS . 12.9 tpt180 -163.09 179.85 7.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.929 0.365 . . . . 71.040000000000006 110.204 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.614 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 69.9 m -114.15 116.0 28.4 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.403 -0.591 . . . . 61.240000000000002 109.403 177.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.519 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 3.7 tpm_? -114.68 115.51 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.26 0.552 . . . . 63.530000000000001 110.012 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.59 153.74 10.01 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.234 -0.894 . . . . 55.119999999999997 112.176 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.2 -30.86 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.605 0.362 . . . . 71.209999999999994 111.283 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -82.11 16.22 2.04 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.271 0.471 . . . . 72.200000000000003 112.271 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 61.41 29.38 18.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.579 0.228 . . . . 73.430000000000007 111.452 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' HG2' ' NE2' ' A' ' 6' ' ' GLN . 0.6 OUTLIER -75.45 124.8 27.78 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.496 -0.32 . . . . 72.230000000000004 110.329 -177.411 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 10.5 m -76.99 120.22 21.8 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.176 0.512 . . . . 74.340000000000003 112.053 -176.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 22.0 m-85 -114.59 146.54 40.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 62.530000000000001 109.238 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.1 m -114.83 140.86 48.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.197 -0.456 . . . . 45.240000000000002 111.047 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.5 p -114.73 114.82 26.13 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.94 -0.763 . . . . 64.040000000000006 108.94 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -129.34 160.63 32.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 63.210000000000001 110.223 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -71.22 127.32 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.268 -0.641 . . . . 74.200000000000003 109.268 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.541 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 12.3 m . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.674 -0.679 . . . . 63.219999999999999 110.776 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.754 -0.461 . . . . 73.409999999999997 109.754 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -104.18 116.2 31.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.973 0.416 . . . . 75.209999999999994 110.664 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.6 m -117.05 124.34 49.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.264 -0.643 . . . . 53.210000000000001 109.264 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -120.74 162.58 19.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.299 0.571 . . . . 75.400000000000006 111.075 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -147.83 -174.54 4.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 44.329999999999998 108.905 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -114.66 144.29 43.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.678 -0.489 . . . . 73.040000000000006 109.678 -176.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 p -114.6 102.56 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.379 0.609 . . . . 64.319999999999993 110.45 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -107.83 -4.6 17.88 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.434 -0.803 . . . . 73.109999999999999 110.714 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.33 -29.79 69.45 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.042 0.449 . . . . 60.140000000000001 110.451 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.93 136.36 57.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.758 . . . . 72.329999999999998 110.193 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.1 86.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 41.399999999999999 111.219 -174.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.21 -173.78 37.92 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.88 -0.6 . . . . 63.520000000000003 112.191 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.94 162.38 22.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.799 2.332 . . . . 71.219999999999999 111.986 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 14.2 t -57.2 92.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 72.150000000000006 111.54 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.45 95.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.336 0.589 . . . . 73.409999999999997 109.564 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 m -153.11 135.47 15.03 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.311 -0.858 . . . . 60.549999999999997 109.52 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 10.9 p-10 -55.77 -41.88 74.71 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.288 -0.414 . . . . 74.239999999999995 109.912 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -56.99 -39.05 73.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 72.409999999999997 109.822 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.449 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.9 OUTLIER -67.54 -55.51 13.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.637 -0.711 . . . . 71.329999999999998 110.299 -178.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.01 -40.79 94.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.163 -0.471 . . . . 72.209999999999994 110.154 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.71 -49.15 76.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.815 -0.63 . . . . 72.349999999999994 110.478 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' THR . 17.7 t -56.61 -48.13 78.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 74.310000000000002 110.128 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.21 -49.86 82.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 CA-C-N 116.008 -0.542 . . . . 62.399999999999999 110.582 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.8 t -59.35 -28.54 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 71.129999999999995 110.295 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 98.4 mt-30 -86.92 -21.26 26.39 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.238 -0.437 . . . . 75.430000000000007 111.535 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' SER . 41.0 p -78.09 -30.38 49.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.879 0.371 . . . . 74.129999999999995 110.074 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.93 -40.41 12.4 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.187 -0.46 . . . . 75.140000000000001 111.522 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.532 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 3.2 mmp_? -141.74 175.18 9.91 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.905 0.384 . . . . 75.439999999999998 111.075 -174.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.29 91.75 4.64 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.732 -0.84 . . . . 70.409999999999997 108.732 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.526 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 6.5 p -165.46 115.28 1.05 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.787 -1.097 . . . . 61.340000000000003 108.836 -175.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -58.76 144.94 43.66 Favored Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.653 -0.703 . . . . 71.129999999999995 111.791 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.71 133.07 10.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.803 -0.713 . . . . 42.119999999999997 112.226 -175.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.68 161.7 34.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.374 -0.973 . . . . 71.040000000000006 108.374 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 73.5 m -114.61 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.069 -0.394 . . . . 61.240000000000002 110.605 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -135.8 169.28 17.81 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.609 -0.723 . . . . 63.530000000000001 109.764 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.56 32.88 79.63 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.369 -0.444 . . . . 55.119999999999997 112.533 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 t80 52.29 79.53 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.785 0.434 . . . . 71.209999999999994 110.723 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 14' ' ' CYS . 8.0 mpt_? 67.86 -32.33 0.2 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.756 1.021 . . . . 72.200000000000003 113.756 -178.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -64.63 -39.12 93.15 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.304 0.483 . . . . 73.430000000000007 112.304 -168.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -112.74 158.99 19.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.265 0.555 . . . . 72.230000000000004 111.771 -177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.7 t -139.01 139.53 37.89 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.628 -0.878 . . . . 74.340000000000003 108.628 171.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -132.31 146.05 51.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.307 . . . . 62.530000000000001 110.478 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 89.0 m -114.9 133.96 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 45.240000000000002 110.487 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 4' ' ' GLU . 25.5 p -114.69 125.82 54.16 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.312 -0.404 . . . . 64.040000000000006 110.01 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 12.3 t -117.89 152.69 34.91 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.956 -0.565 . . . . 63.210000000000001 110.1 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -68.15 96.8 0.66 Allowed 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.967 -0.753 . . . . 74.200000000000003 108.967 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.689 -0.672 . . . . 63.219999999999999 110.21 -175.267 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.501 -0.185 . . . . 73.409999999999997 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.2 m -67.15 112.13 4.28 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.176 -0.675 . . . . 75.209999999999994 109.176 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 t -118.24 131.98 56.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.558 -0.746 . . . . 53.210000000000001 110.157 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.84 149.23 37.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 75.400000000000006 110.204 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -144.64 -177.34 5.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.816 . . . . 44.329999999999998 109.59 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -114.65 147.83 39.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.978 -0.379 . . . . 73.040000000000006 109.978 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -114.2 99.74 7.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.699 0.761 . . . . 64.319999999999993 109.886 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -95.83 3.8 53.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.986 -1.007 . . . . 73.109999999999999 109.009 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -83.89 -37.82 21.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.936 -1.029 . . . . 60.140000000000001 109.365 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.44 141.71 58.23 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.691 -0.686 . . . . 72.329999999999998 109.991 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -82.14 105.68 13.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 41.399999999999999 111.928 -173.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.48 -147.74 22.43 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.989 -0.551 . . . . 63.520000000000003 112.998 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.0 -179.03 4.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.013 2.475 . . . . 71.219999999999999 111.704 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.419 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.9 m -75.56 90.2 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.708 -0.224 . . . . 72.150000000000006 110.537 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.58 66.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.068 0.461 . . . . 73.409999999999997 109.83 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -159.95 140.12 11.69 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.469 -0.787 . . . . 60.549999999999997 109.839 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.44 -50.77 64.56 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.603 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.57 -32.13 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.883 -0.599 . . . . 72.409999999999997 110.662 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.509 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.8 OUTLIER -71.74 -51.84 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 71.329999999999998 110.097 -178.194 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.59 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.811 -0.44 . . . . 72.209999999999994 109.811 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' GLY . . . -63.73 -51.09 66.5 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.705 -0.68 . . . . 72.349999999999994 110.141 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 26' ' ' THR . 31.1 t -55.26 -50.07 70.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 109.868 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.14 -55.74 14.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 CA-C-O 121.244 0.545 . . . . 62.399999999999999 110.741 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.1 t -60.19 -25.58 65.68 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.39 -0.823 . . . . 71.129999999999995 110.735 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.98 -25.07 21.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.538 -0.301 . . . . 75.430000000000007 111.614 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' SER . 31.5 p -78.89 -30.99 45.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.675 0.274 . . . . 74.129999999999995 110.33 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.06 -43.08 12.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.796 -0.362 . . . . 75.140000000000001 111.371 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -143.47 179.95 6.79 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.618 0.247 . . . . 75.439999999999998 110.384 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.19 91.96 4.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.125 0.488 . . . . 70.409999999999997 110.188 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.0 p -165.64 114.78 1.01 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.558 -0.746 . . . . 61.340000000000003 109.353 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.86 126.1 17.1 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.555 -0.748 . . . . 71.129999999999995 112.129 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ALA . . . -114.3 145.02 18.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.491 -0.861 . . . . 42.119999999999997 113.386 -170.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -151.61 -179.6 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.827 0.851 . . . . 71.040000000000006 109.005 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 40' ' ' ARG . 30.7 t -114.5 142.98 45.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.829 0.347 . . . . 61.240000000000002 110.817 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.01 105.96 0.45 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.745 -0.835 . . . . 63.530000000000001 108.745 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -80.16 0.67 Allowed Glycine 0 C--N 1.318 -0.472 0 CA-C-N 115.52 -0.764 . . . . 55.119999999999997 111.49 -173.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 27.9 t80 176.91 137.02 0.06 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.182 -0.673 . . . . 71.209999999999994 109.182 177.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HD2' ' O ' ' A' ' 14' ' ' CYS . 13.0 mmm180 72.96 -27.4 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.05 0.759 . . . . 72.200000000000003 113.05 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 28.0 mmt180 -66.53 -69.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.684 0.624 . . . . 73.430000000000007 112.684 -168.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 13.9 tpp180 -158.44 139.63 13.23 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 121.105 -0.238 . . . . 72.230000000000004 110.468 -174.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.16 126.26 39.28 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.444 0.64 . . . . 74.340000000000003 112.272 -171.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -117.77 145.28 44.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.93 . . . . 62.530000000000001 109.723 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.66 140.38 48.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.67 0.271 . . . . 45.240000000000002 110.284 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -115.7 137.18 52.34 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.177 -0.465 . . . . 64.040000000000006 110.514 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -158.38 -179.58 8.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 63.210000000000001 109.291 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -101.23 100.2 10.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.073 0.464 . . . . 74.200000000000003 110.929 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.713 -0.676 . . . . 63.219999999999999 109.245 175.124 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.376 -0.231 . . . . 73.409999999999997 110.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.2 m -93.17 125.83 37.97 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.802 -0.444 . . . . 75.209999999999994 109.802 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 53.3 t -114.83 99.95 7.86 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.987 -0.746 . . . . 53.210000000000001 108.987 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 12.9 pt-20 -116.79 140.36 49.53 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 75.400000000000006 112.022 -175.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -117.24 -169.89 1.74 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.73 -1.123 . . . . 44.329999999999998 108.814 174.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -115.23 163.43 15.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.608 -0.515 . . . . 73.040000000000006 109.608 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 t -114.12 141.06 47.96 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.284 -0.635 . . . . 64.319999999999993 109.284 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -138.4 5.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.411 -0.813 . . . . 73.109999999999999 110.911 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -94.14 -33.46 13.32 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.738 -0.468 . . . . 60.140000000000001 109.738 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.07 137.44 57.98 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.847 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.94 124.68 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.838 -0.619 . . . . 41.399999999999999 110.614 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.94 139.8 9.49 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.287 -0.482 . . . . 63.520000000000003 112.549 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.38 86.34 0.82 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.323 2.015 . . . . 71.219999999999999 111.663 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.6 m 65.49 35.89 7.0 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.642 -0.708 . . . . 72.150000000000006 110.987 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.93 -42.89 63.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.933 -0.576 . . . . 73.409999999999997 111.215 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -148.04 125.43 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.846 -0.798 . . . . 60.549999999999997 108.846 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -64.42 -43.19 95.13 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.222 0.453 . . . . 74.239999999999995 112.222 -172.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -63.88 -49.69 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.442 0.639 . . . . 72.409999999999997 109.57 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.55 -46.1 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.963 -1.017 . . . . 71.329999999999998 109.947 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 t -53.31 -48.66 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.065 -0.971 . . . . 72.209999999999994 110.465 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.97 83.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.726 -0.67 . . . . 72.349999999999994 111.068 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 t -59.96 -53.82 53.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.608 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.55 -39.4 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 116.071 -0.513 . . . . 62.399999999999999 110.964 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 45.1 t -65.49 -38.99 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 71.129999999999995 110.365 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.76 -31.02 67.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.635 -0.257 . . . . 75.430000000000007 110.861 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -72.66 -35.7 67.78 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.919 -0.312 . . . . 74.129999999999995 110.646 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 8.8 pt-20 -74.79 -50.09 18.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.209 -0.597 . . . . 75.140000000000001 110.476 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 28.4 mmm180 -140.29 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.642 0.377 . . . . 75.439999999999998 110.07 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -63.79 92.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.47 0.652 . . . . 70.409999999999997 110.293 176.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.488 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 13.6 p -167.89 117.04 0.78 Allowed 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.678 -1.146 . . . . 61.340000000000003 108.871 -177.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 138.5 49.12 Favored Glycine 0 C--O 1.221 -0.685 0 N-CA-C 111.238 -0.745 . . . . 71.129999999999995 111.238 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.1 128.83 8.43 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 119.659 -1.257 . . . . 42.119999999999997 113.496 -166.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -134.51 172.56 12.75 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.899 -0.778 . . . . 71.040000000000006 108.899 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -115.44 138.07 51.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.004 -0.369 . . . . 61.240000000000002 110.004 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.98 128.58 34.12 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.628 -0.879 . . . . 63.530000000000001 108.628 171.391 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.83 -72.55 0.52 Allowed Glycine 0 CA--C 1.518 0.266 0 O-C-N 123.34 0.4 . . . . 55.119999999999997 114.015 -173.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -71.81 -30.06 65.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.998 0.428 . . . . 71.209999999999994 110.69 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . 8.3 tpt180 -69.92 -28.25 65.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 72.200000000000003 109.899 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 47.84 63.69 1.92 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.483 -0.78 . . . . 73.430000000000007 110.927 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -159.11 147.3 17.9 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.65 -0.705 . . . . 72.230000000000004 110.139 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 m -73.83 113.8 11.4 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.394 -0.821 . . . . 74.340000000000003 111.943 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -119.54 138.11 53.39 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.495 -0.928 . . . . 62.530000000000001 108.495 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 61.8 m -122.13 149.4 43.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.251 -0.431 . . . . 45.240000000000002 110.991 -171.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 4' ' ' GLU . 40.3 p -114.47 143.7 44.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.17 0.51 . . . . 64.040000000000006 110.49 -175.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 13.6 t -142.37 -179.81 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.379 -0.828 . . . . 63.210000000000001 109.804 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -99.93 100.35 11.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.061 -0.518 . . . . 74.200000000000003 110.351 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 3' ' ' CYS . 81.2 m . . . . . 0 C--O 1.248 1.013 0 N-CA-C 109.299 -0.63 . . . . 63.219999999999999 109.299 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.558 0.218 . . . . 73.409999999999997 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.3 m -73.63 124.14 25.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.77 -0.456 . . . . 75.209999999999994 109.77 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -114.95 149.4 37.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.951 -0.568 . . . . 53.210000000000001 109.685 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.73 150.47 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.978 0.418 . . . . 75.400000000000006 110.055 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -152.7 -170.32 3.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 44.329999999999998 109.189 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 57.5 tt0 -135.37 157.43 46.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.76 -0.459 . . . . 73.040000000000006 109.76 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.4 t -114.52 119.44 36.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.464 0.65 . . . . 64.319999999999993 109.839 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -110.7 -3.3 15.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 73.109999999999999 109.653 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.39 -26.49 51.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.296 -0.865 . . . . 60.140000000000001 110.026 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -69.35 159.53 32.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.51 -0.768 . . . . 72.329999999999998 110.531 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -94.02 108.35 20.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.279 -0.418 . . . . 41.399999999999999 110.946 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.98 -157.6 48.79 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.382 -0.437 . . . . 63.520000000000003 112.518 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.44 -177.45 3.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.963 2.442 . . . . 71.219999999999999 111.843 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.28 88.76 0.08 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.051 -0.522 . . . . 72.150000000000006 110.751 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.86 -34.49 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.611 -0.722 . . . . 73.409999999999997 110.56 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 m -144.32 129.49 18.67 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.005 -0.543 . . . . 60.549999999999997 110.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.76 -57.73 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 74.239999999999995 110.997 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -57.0 -46.1 82.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.802 -0.636 . . . . 72.409999999999997 110.51 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.89 -52.96 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 71.329999999999998 110.502 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -45.8 90.76 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.148 0.499 . . . . 72.209999999999994 110.24 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.49 -45.34 94.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.471 -0.786 . . . . 72.349999999999994 110.662 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -61.87 -46.42 89.51 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.081 0.467 . . . . 74.310000000000002 110.319 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -57.85 -49.25 81.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 115.968 -0.56 . . . . 62.399999999999999 110.643 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 48.8 t -62.2 -43.64 98.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.301 -0.409 . . . . 71.129999999999995 110.631 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 99.6 mt-30 -65.12 -33.7 76.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.586 -0.279 . . . . 75.430000000000007 111.181 -178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -74.4 -41.93 60.09 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.548 -0.296 . . . . 74.129999999999995 110.863 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.58 -35.86 75.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.462 -0.495 . . . . 75.140000000000001 110.478 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.451 HH22 HG21 ' A' ' 45' ' ' THR . 73.0 ttp85 -172.71 122.27 0.42 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.533 0.333 . . . . 75.439999999999998 110.122 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -44.08 101.8 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.481 0.657 . . . . 70.409999999999997 112.19 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.8 m -158.74 117.12 2.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.638 -1.245 . . . . 61.340000000000003 107.638 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -48.8 147.57 5.33 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.818 -0.628 . . . . 71.129999999999995 112.148 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.53 118.32 4.34 Favored Glycine 0 C--O 1.235 0.193 0 C-N-CA 120.703 -0.761 . . . . 42.119999999999997 112.303 -172.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -124.54 154.98 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.11 -0.7 . . . . 71.040000000000006 109.11 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -114.98 107.97 16.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.005 0.431 . . . . 61.240000000000002 110.362 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -136.87 145.45 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.333 -0.618 . . . . 63.530000000000001 109.333 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.87 166.59 12.09 Favored Glycine 0 C--O 1.234 0.106 0 C-N-CA 121.245 -0.502 . . . . 55.119999999999997 111.987 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -54.42 -40.68 68.52 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.831 0.348 . . . . 71.209999999999994 111.325 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -109.73 21.74 16.55 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.362 -0.381 . . . . 72.200000000000003 110.194 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 56.78 78.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 73.430000000000007 110.547 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -82.53 156.99 23.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.0 -0.37 . . . . 72.230000000000004 110.0 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.5 109.9 18.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.953 -0.567 . . . . 74.340000000000003 109.955 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 68.3 m-85 -114.72 139.06 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.49 -0.559 . . . . 62.530000000000001 109.49 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 74.4 m -114.72 142.85 45.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.251 -0.431 . . . . 45.240000000000002 111.365 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -114.81 117.8 31.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.704 -0.68 . . . . 64.040000000000006 109.938 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.451 HG21 HH22 ' A' ' 28' ' ' ARG . 14.1 t -124.51 -179.8 4.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.143 -0.935 . . . . 63.210000000000001 109.323 -176.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -125.77 114.94 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.852 0.358 . . . . 74.200000000000003 110.912 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.255 -0.878 . . . . 63.219999999999999 109.77 178.382 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 1' ' ' ARG . 4.6 mmp_? . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.734 0.302 . . . . 73.409999999999997 110.955 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.0 m -93.34 158.67 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.923 -0.769 . . . . 75.209999999999994 108.923 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.59 100.16 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.79 -0.818 . . . . 53.210000000000001 108.79 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.21 152.79 38.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.546 . . . . 75.400000000000006 110.73 -173.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -157.51 -169.85 3.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.865 -0.607 . . . . 44.329999999999998 109.849 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 45.9 tt0 -122.12 144.44 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.571 0.348 . . . . 73.040000000000006 110.21 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.0 p -114.68 135.19 54.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.945 0.402 . . . . 64.319999999999993 110.567 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -126.87 6.45 6.65 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.316 -0.402 . . . . 73.109999999999999 110.574 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.71 -33.31 74.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.077 -0.712 . . . . 60.140000000000001 109.077 174.072 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.98 143.64 51.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 114.838 -1.074 . . . . 72.329999999999998 110.588 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 38.3 ttmt -84.33 115.16 22.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 41.399999999999999 111.221 -174.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.1 -157.48 49.01 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.294 -0.866 . . . . 63.520000000000003 113.59 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.09 165.39 32.1 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.774 2.316 . . . . 71.219999999999999 111.854 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.5 85.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 72.150000000000006 111.671 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.14 64.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.219 0.533 . . . . 73.409999999999997 109.858 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -140.77 117.24 10.8 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.577 -0.738 . . . . 60.549999999999997 109.999 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.26 -35.67 76.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 110.43 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -66.23 -42.61 88.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.076 0.465 . . . . 72.409999999999997 109.94 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -66.21 -45.64 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 71.329999999999998 109.759 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.7 t -55.81 -42.6 75.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.589 -0.732 . . . . 72.209999999999994 110.252 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -60.74 -53.27 59.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.742 -0.663 . . . . 72.349999999999994 110.885 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -56.25 -47.43 78.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 74.310000000000002 110.626 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 55.0 t -57.72 -51.5 69.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 115.871 -0.604 . . . . 62.399999999999999 110.725 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 29' ' ' PHE . 44.3 t -59.41 -35.58 74.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.895 -0.593 . . . . 71.129999999999995 111.052 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 79.7 mt-30 -72.69 -32.53 65.85 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.213 -0.448 . . . . 75.430000000000007 111.005 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.1 p -73.92 -29.64 62.15 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.112 -0.329 . . . . 74.129999999999995 110.112 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 31.2 mt-10 -64.49 -78.13 0.05 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.293 -0.412 . . . . 75.140000000000001 110.75 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -153.86 -41.12 0.09 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.52 -0.309 . . . . 75.439999999999998 111.681 -175.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.739 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 51.6 m-85 -75.13 152.24 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 70.409999999999997 111.33 -168.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -84.64 -22.79 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 61.340000000000003 110.784 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.74 149.01 19.61 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.69 -0.564 . . . . 71.129999999999995 111.69 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.41 138.38 5.94 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.254 -0.738 . . . . 42.119999999999997 111.254 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.582 ' HG2' ' H ' ' A' ' 34' ' ' CYS . 48.5 ttp85 -165.25 -179.06 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.429 -0.582 . . . . 71.040000000000006 109.429 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.582 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 13.9 m -114.05 136.8 52.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.14 0.495 . . . . 61.240000000000002 110.27 -169.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.91 112.44 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.461 -0.79 . . . . 63.530000000000001 111.997 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.87 -114.11 0.28 Allowed Glycine 0 N--CA 1.463 0.45 0 CA-C-N 114.695 -1.139 . . . . 55.119999999999997 114.321 174.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.64 -2.13 28.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 71.209999999999994 110.851 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -66.35 -27.8 68.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.14 -0.482 . . . . 72.200000000000003 110.405 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 64.2 20.62 12.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.833 -0.622 . . . . 73.430000000000007 111.073 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -98.52 134.48 41.42 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.938 -0.574 . . . . 72.230000000000004 109.68 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -76.22 118.99 19.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.299 0.481 . . . . 74.340000000000003 112.299 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 67.1 m-85 -117.0 158.75 23.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.453 -0.794 . . . . 62.530000000000001 108.871 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -130.16 146.32 51.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.386 -0.37 . . . . 45.240000000000002 111.474 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.2 p -120.67 139.8 52.52 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.512 -0.767 . . . . 64.040000000000006 110.665 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.8 t -158.65 -179.69 8.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.713 -0.676 . . . . 63.210000000000001 109.249 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -115.54 129.96 56.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.748 0.308 . . . . 74.200000000000003 110.294 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.687 -0.486 . . . . 63.219999999999999 109.687 -179.267 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.572 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 1.5 mmp_? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.23 0.538 . . . . 73.409999999999997 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 m -140.4 145.03 36.53 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.562 -0.744 . . . . 75.209999999999994 109.857 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -114.94 142.03 47.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 53.210000000000001 110.062 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.3 OUTLIER -128.19 150.01 50.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 75.400000000000006 110.447 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -142.18 -177.01 5.03 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.309 -0.626 . . . . 44.329999999999998 109.309 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.677 ' NE2' ' HD2' ' A' ' 40' ' ' ARG . 51.4 tt0 -114.23 146.77 39.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.457 -0.571 . . . . 73.040000000000006 109.457 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.2 m -114.17 99.69 7.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.327 0.584 . . . . 64.319999999999993 110.103 -172.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -113.3 20.46 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.331 -0.85 . . . . 73.109999999999999 110.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -84.62 -28.08 26.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.364 -0.835 . . . . 60.140000000000001 109.149 172.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -68.13 142.94 55.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.989 -1.005 . . . . 72.329999999999998 109.795 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -76.82 111.23 12.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 41.399999999999999 110.775 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.45 174.02 29.78 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.045 -0.525 . . . . 63.520000000000003 112.512 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.71 43.0 1.27 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.227 2.618 . . . . 71.219999999999999 112.436 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t 64.0 108.34 0.03 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.265 0.555 . . . . 72.150000000000006 110.678 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' A' ' 39' ' ' ARG . . . -93.48 -55.34 3.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 73.409999999999997 110.426 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -120.24 123.9 44.35 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.957 -0.565 . . . . 60.549999999999997 110.952 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 14.6 t70 -47.64 -58.87 3.75 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.211 -0.904 . . . . 74.239999999999995 111.168 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -55.14 -41.18 71.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.8 -0.636 . . . . 72.409999999999997 111.504 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -68.43 -46.83 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 71.329999999999998 111.068 -174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.74 -40.8 97.61 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.482 -0.562 . . . . 72.209999999999994 109.482 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.28 -49.16 78.71 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.31 -0.859 . . . . 72.349999999999994 110.674 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.1 t -61.92 -41.79 98.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.253 -0.431 . . . . 74.310000000000002 110.282 -177.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -56.73 -52.2 57.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.195 0.522 . . . . 62.399999999999999 110.235 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.84 -33.95 69.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.514 -0.766 . . . . 71.129999999999995 110.349 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -77.14 -30.63 55.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.798 -0.637 . . . . 75.430000000000007 111.521 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.7 p -77.16 -33.95 56.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.551 0.215 . . . . 74.129999999999995 110.947 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 10.7 pt-20 -77.33 -50.11 13.51 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.659 -0.416 . . . . 75.140000000000001 110.813 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 10.5 mtp180 -142.81 -174.17 4.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.952 0.406 . . . . 75.439999999999998 110.671 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.78 99.42 9.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.459 0.647 . . . . 70.409999999999997 109.94 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 43' ' ' CYS . 12.0 t -162.92 112.94 1.4 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.912 -1.04 . . . . 61.340000000000003 108.515 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.09 123.34 32.29 Favored Glycine 0 C--O 1.23 -0.142 0 CA-C-N 115.986 -0.552 . . . . 71.129999999999995 112.016 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.57 149.65 18.77 Favored Glycine 0 C--O 1.234 0.148 0 C-N-CA 120.831 -0.699 . . . . 42.119999999999997 112.955 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -145.06 169.0 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.154 0.581 . . . . 71.040000000000006 110.011 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 7.0 t -114.61 100.32 8.19 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.601 -0.518 . . . . 61.240000000000002 109.601 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -153.36 157.7 40.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.574 -0.739 . . . . 63.530000000000001 109.392 -173.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.33 -150.31 19.88 Favored Glycine 0 N--CA 1.452 -0.261 0 N-CA-C 111.647 -0.581 . . . . 55.119999999999997 111.647 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -63.72 -58.36 7.14 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.412 -0.588 . . . . 71.209999999999994 109.412 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -118.52 -60.72 1.75 Allowed 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.32 -0.855 . . . . 72.200000000000003 109.581 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' NH2' ' HA ' ' A' ' 15' ' ' ALA . 57.8 mtp180 -151.89 110.56 3.81 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.683 -0.69 . . . . 73.430000000000007 110.641 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.677 ' HD2' ' NE2' ' A' ' 6' ' ' GLN . 27.2 mtm180 -142.28 174.88 10.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.552 -0.749 . . . . 72.230000000000004 109.443 173.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.3 t -128.5 132.98 48.35 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.504 -0.554 . . . . 74.340000000000003 109.504 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.37 141.37 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.631 -0.259 . . . . 62.530000000000001 110.73 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.405 ' HB3' ' OG ' ' A' ' 30' ' ' SER . 77.8 m -115.79 150.01 37.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.22 -0.445 . . . . 45.240000000000002 110.282 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.435 HG22 ' HB3' ' A' ' 4' ' ' GLU . 31.5 p -132.55 130.08 39.88 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 116.301 -0.409 . . . . 64.040000000000006 111.327 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.7 t -142.48 165.06 28.44 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.804 -0.635 . . . . 63.210000000000001 109.479 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.48 139.35 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 74.200000000000003 111.527 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.165 -0.922 . . . . 63.219999999999999 109.434 173.117 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.812 0.339 . . . . 73.409999999999997 110.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.9 m -79.03 132.32 36.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.236 -0.438 . . . . 75.209999999999994 110.182 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -117.44 158.45 24.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.938 -0.393 . . . . 53.210000000000001 109.938 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.17 162.72 24.03 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.168 0.509 . . . . 75.400000000000006 110.807 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -143.89 175.74 9.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.325 -0.852 . . . . 44.329999999999998 109.061 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -114.57 145.3 42.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.709 -0.478 . . . . 73.040000000000006 109.709 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -114.66 107.91 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.178 0.513 . . . . 64.319999999999993 110.324 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -112.7 11.83 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.41 -0.814 . . . . 73.109999999999999 109.317 171.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -76.55 -42.8 41.64 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.197 -1.038 . . . . 60.140000000000001 108.197 172.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.5 130.93 48.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.514 -0.766 . . . . 72.329999999999998 109.648 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 8.7 mtpm? -121.29 140.6 51.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 41.399999999999999 110.589 -175.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.91 -158.69 14.16 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 116.128 -0.487 . . . . 63.520000000000003 112.361 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.73 115.4 3.84 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.752 2.302 . . . . 71.219999999999999 111.56 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 41' ' ' CYS . 16.0 t -80.23 68.67 6.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.407 0.623 . . . . 72.150000000000006 109.779 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.68 -40.51 5.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.378 -0.828 . . . . 73.409999999999997 109.517 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 m -79.7 81.55 5.94 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-O 121.556 0.693 . . . . 60.549999999999997 110.257 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -58.13 -35.69 71.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.323 -0.853 . . . . 74.239999999999995 110.565 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.4 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.464 -0.569 . . . . 72.409999999999997 109.464 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.82 -51.14 61.47 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.533 -0.758 . . . . 71.329999999999998 109.662 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -61.57 -37.81 85.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.039 -0.528 . . . . 72.209999999999994 110.161 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.31 -48.48 79.65 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.884 -0.598 . . . . 72.349999999999994 110.534 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -55.38 -50.84 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.052 -0.522 . . . . 74.310000000000002 109.685 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.03 -53.58 26.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 115.441 -0.8 . . . . 62.399999999999999 110.837 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.36 -35.51 74.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.866 -0.606 . . . . 71.129999999999995 110.548 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 77.7 mt-30 -77.32 -30.08 53.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 111.454 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -76.48 -29.18 56.76 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.89 0.376 . . . . 74.129999999999995 110.118 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.31 -61.25 2.0 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.027 -0.533 . . . . 75.140000000000001 111.577 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -129.85 178.9 6.18 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.151 0.501 . . . . 75.439999999999998 111.467 -174.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -93.1 88.63 6.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.635 0.731 . . . . 70.409999999999997 109.449 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 13.1 p -165.3 116.68 1.12 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.42 -1.264 . . . . 61.340000000000003 108.829 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.85 151.22 37.96 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 115.593 -0.731 . . . . 71.129999999999995 111.57 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.85 145.75 18.7 Favored Glycine 0 C--O 1.236 0.219 0 C-N-CA 120.648 -0.787 . . . . 42.119999999999997 112.989 -173.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -161.89 143.27 11.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.553 -0.536 . . . . 71.040000000000006 109.553 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 41' ' ' CYS . 40.8 t -114.61 122.89 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.429 -0.582 . . . . 61.240000000000002 109.429 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 18.4 tpt180 -82.13 127.14 32.84 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.012 0.434 . . . . 63.530000000000001 110.263 -174.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.23 65.73 4.02 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.69 -0.686 . . . . 55.119999999999997 114.406 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -92.6 -87.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.291 -1.003 . . . . 71.209999999999994 108.291 167.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -111.14 -56.33 2.38 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 108.601 -0.888 . . . . 72.200000000000003 108.601 167.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -177.59 110.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.611 -0.722 . . . . 73.430000000000007 109.937 172.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -159.3 120.71 3.31 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.582 -0.525 . . . . 72.230000000000004 109.582 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 21.8 t -91.92 152.21 20.16 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.866 -0.607 . . . . 74.340000000000003 110.591 -176.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -140.97 151.25 44.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.585 -0.734 . . . . 62.530000000000001 109.773 -177.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 92.8 m -124.76 137.18 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.041 -0.355 . . . . 45.240000000000002 110.041 178.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.82 140.82 48.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.848 0.356 . . . . 64.040000000000006 110.472 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -147.41 -179.98 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 63.210000000000001 110.212 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -112.12 118.26 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.282 0.233 . . . . 74.200000000000003 110.894 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.9 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.7 -0.666 . . . . 63.219999999999999 110.141 176.466 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.581 ' HG2' ' HB2' ' A' ' 47' ' ' CYS . 45.2 ttp180 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.224 0.535 . . . . 73.409999999999997 109.733 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.0 m -117.32 135.51 53.79 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.765 -0.652 . . . . 75.209999999999994 110.31 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 96.2 m -114.68 136.52 52.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.363 -0.38 . . . . 53.210000000000001 110.202 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.469 ' HB3' HG22 ' A' ' 44' ' ' THR . 13.5 pt-20 -114.91 108.87 17.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.744 0.783 . . . . 75.400000000000006 110.426 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -101.3 -169.47 1.7 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.954 -1.021 . . . . 44.329999999999998 109.547 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 59.8 tt0 -114.6 160.34 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.428 -0.582 . . . . 73.040000000000006 109.428 -178.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 m -114.19 124.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.965 0.412 . . . . 64.319999999999993 110.614 -174.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -127.67 3.24 6.11 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.871 -0.604 . . . . 73.109999999999999 110.844 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -85.67 -11.96 52.48 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 108.981 -0.748 . . . . 60.140000000000001 108.981 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.93 149.47 29.39 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 114.962 -1.017 . . . . 72.329999999999998 110.153 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -107.12 128.66 54.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 41.399999999999999 111.142 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.57 -170.37 54.15 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.905 -0.588 . . . . 63.520000000000003 113.124 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.34 176.77 9.2 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.757 2.305 . . . . 71.219999999999999 111.307 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.4 t -72.32 86.65 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 72.150000000000006 110.138 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.77 -29.82 70.38 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.821 -0.627 . . . . 73.409999999999997 110.321 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -173.09 136.53 0.65 Allowed 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.532 -0.758 . . . . 60.549999999999997 109.96 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -55.03 -37.34 66.54 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.979 -0.555 . . . . 74.239999999999995 109.872 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -67.74 -35.32 78.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.69 -0.686 . . . . 72.409999999999997 110.144 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -66.98 -44.04 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.152 -0.685 . . . . 71.329999999999998 109.152 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.88 -41.57 78.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.537 -0.756 . . . . 72.209999999999994 110.036 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.88 -57.54 12.59 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.963 -0.562 . . . . 72.349999999999994 110.671 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' THR . 23.2 t -54.16 -47.22 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 74.310000000000002 110.633 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.11 -51.73 69.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 116.106 -0.497 . . . . 62.399999999999999 110.79 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 13.3 t -64.17 -31.78 73.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.08 0.467 . . . . 71.129999999999995 110.627 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.25 -33.85 67.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.036 -0.529 . . . . 75.430000000000007 110.61 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' SER . 72.7 p -78.3 -22.66 47.84 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.939 -0.304 . . . . 74.129999999999995 110.644 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.61 -53.09 62.08 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.24 -0.281 . . . . 75.140000000000001 110.24 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HB3' ' H ' ' A' ' 29' ' ' PHE . 22.3 ttm180 -168.59 -91.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.59 -0.277 . . . . 75.439999999999998 110.678 174.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' H ' ' HB3' ' A' ' 28' ' ' ARG . 76.3 m-85 -147.78 86.51 1.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.317 -0.623 . . . . 70.409999999999997 109.317 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.668 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 31.2 m -159.92 116.66 2.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.747 -0.834 . . . . 61.340000000000003 108.747 -174.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.46 139.33 48.2 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 111.257 -0.737 . . . . 71.129999999999995 111.257 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.88 130.82 9.41 Favored Glycine 0 C--O 1.235 0.188 0 C-N-CA 120.541 -0.838 . . . . 42.119999999999997 112.307 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -144.07 179.64 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.491 -0.559 . . . . 71.040000000000006 109.491 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.1 m -130.32 134.04 46.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.957 -0.757 . . . . 61.240000000000002 108.957 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -116.78 14.85 15.34 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.296 0.569 . . . . 63.530000000000001 110.949 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -126.08 152.97 18.33 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 109.977 -1.249 . . . . 55.119999999999997 109.977 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -63.68 93.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.38 0.59 . . . . 71.209999999999994 110.429 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 64.86 23.05 12.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.484 -0.78 . . . . 72.200000000000003 109.99 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -149.2 163.95 36.16 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.442 -0.799 . . . . 73.430000000000007 110.149 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.506 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 24.9 ttt180 58.02 93.76 0.03 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.593 0.711 . . . . 72.230000000000004 112.26 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.72 137.28 32.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.108 -0.951 . . . . 74.340000000000003 110.423 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.506 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 45.6 m-85 -125.99 152.45 45.7 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.957 0.503 . . . . 62.530000000000001 110.407 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -121.47 138.96 54.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.516 . . . . 45.240000000000002 110.398 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.469 HG22 ' HB3' ' A' ' 4' ' ' GLU . 31.6 p -114.65 126.43 54.88 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.988 -0.551 . . . . 64.040000000000006 109.951 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -148.07 172.26 14.55 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.196 -0.456 . . . . 63.210000000000001 110.903 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -74.99 134.39 41.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 74.200000000000003 110.4 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB2' ' HG2' ' A' ' 1' ' ' ARG . 23.4 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.292 -0.861 . . . . 63.219999999999999 110.253 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 1' ' ' ARG . 11.4 ptp180 . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.728 0.299 . . . . 73.409999999999997 110.725 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.0 m -104.73 115.41 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.339 -0.615 . . . . 75.209999999999994 109.339 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -114.9 135.8 53.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.573 -0.285 . . . . 53.210000000000001 110.923 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 10.6 pt-20 -114.83 109.7 18.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.62 0.724 . . . . 75.400000000000006 110.362 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -96.71 -168.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.988 . . . . 44.329999999999998 109.537 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -114.44 148.81 37.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.785 -0.45 . . . . 73.040000000000006 109.785 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.9 t -114.34 119.68 37.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.55 0.69 . . . . 64.319999999999993 110.451 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -107.34 19.65 20.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 73.109999999999999 109.436 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 28.1 tptp -111.89 -15.2 13.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.622 -0.717 . . . . 60.140000000000001 110.288 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.39 165.99 21.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.759 -0.655 . . . . 72.329999999999998 110.569 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -86.27 104.47 15.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.123 -0.489 . . . . 41.399999999999999 111.368 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.85 -148.38 39.75 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.974 -0.557 . . . . 63.520000000000003 113.173 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 12.8 Cg_exo -69.97 -69.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.692 2.261 . . . . 71.219999999999999 111.861 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 9.2 t -153.51 172.07 17.73 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.441 -1.254 . . . . 72.150000000000006 110.261 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.604 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -151.97 -40.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.95 -0.759 . . . . 73.409999999999997 108.95 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -177.07 145.15 0.46 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.04 -0.982 . . . . 60.549999999999997 109.076 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -57.99 -35.12 70.77 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.017 -0.734 . . . . 74.239999999999995 109.017 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -58.87 -50.69 73.07 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 114.933 -1.03 . . . . 72.409999999999997 110.339 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.23 -48.75 76.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.35 -0.841 . . . . 71.329999999999998 110.396 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.2 m -58.04 -39.31 78.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 72.209999999999994 110.917 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -57.72 11.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 72.349999999999994 110.328 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.1 t -51.84 -56.24 15.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.64 -0.709 . . . . 74.310000000000002 111.047 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 90.5 t -58.41 -53.97 39.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 62.399999999999999 110.98 -177.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -60.95 -36.58 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.607 -0.269 . . . . 71.129999999999995 110.511 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -70.94 -34.19 71.24 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.713 0.292 . . . . 75.430000000000007 110.974 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -74.6 -27.85 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.481 . . . . 74.129999999999995 110.472 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 23' ' ' VAL . 76.6 mm-40 -79.24 -38.71 34.93 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.178 -0.465 . . . . 75.140000000000001 111.312 177.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -167.06 159.26 12.97 Favored 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 109.921 -0.4 . . . . 75.439999999999998 109.921 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.96 84.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 70.409999999999997 110.046 174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -163.44 117.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.132 -0.94 . . . . 61.340000000000003 108.634 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.25 177.99 6.71 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.779 -0.528 . . . . 71.129999999999995 111.779 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.07 163.53 25.07 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.543 -0.837 . . . . 42.119999999999997 113.174 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -165.18 170.85 14.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.196 0.599 . . . . 71.040000000000006 109.732 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.99 120.36 39.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.582 -0.896 . . . . 61.240000000000002 108.582 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 23.7 tpt180 -136.8 159.08 42.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.372 -0.377 . . . . 63.530000000000001 110.436 -170.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 162.03 36.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.191 -0.528 . . . . 55.119999999999997 112.659 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -65.37 -29.7 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.223 0.535 . . . . 71.209999999999994 110.415 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -76.7 -11.83 59.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.451 -0.795 . . . . 72.200000000000003 110.696 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? 57.41 63.22 1.92 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.619 -0.511 . . . . 73.430000000000007 109.619 -171.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -99.5 160.97 13.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.135 -0.32 . . . . 72.230000000000004 110.135 -178.364 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.1 t -82.47 114.85 21.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.082 -0.508 . . . . 74.340000000000003 111.111 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 28.1 m-85 -114.82 154.91 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.727 -0.67 . . . . 62.530000000000001 109.813 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 67.1 m -114.9 142.66 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 45.240000000000002 110.698 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.9 p -114.73 116.24 28.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.932 0.396 . . . . 64.040000000000006 110.417 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -131.27 -179.93 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 63.210000000000001 110.205 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -102.51 128.89 48.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.939 0.4 . . . . 74.200000000000003 111.228 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.7 -0.666 . . . . 63.219999999999999 109.364 172.415 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.992 0.425 . . . . 73.409999999999997 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 m -108.41 130.6 55.23 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.651 -0.704 . . . . 75.209999999999994 110.126 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.85 154.38 28.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 53.210000000000001 109.732 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 11.0 tt0 -114.73 152.82 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.863 -0.421 . . . . 75.400000000000006 109.863 -175.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -143.14 171.54 13.94 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.602 -0.888 . . . . 44.329999999999998 108.602 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -114.78 137.35 52.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 73.040000000000006 110.223 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 p -114.49 99.68 7.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 64.319999999999993 110.28 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -86.63 1.3 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.797 -0.638 . . . . 73.109999999999999 109.648 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.41 -35.42 80.87 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.83 -0.804 . . . . 60.140000000000001 108.83 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -82.29 115.79 21.51 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.076 -0.966 . . . . 72.329999999999998 108.91 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.17 116.24 19.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.297 0.57 . . . . 41.399999999999999 111.867 -172.649 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.4 -151.69 19.97 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.847 -0.615 . . . . 63.520000000000003 113.145 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -84.3 164.92 12.85 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.219 2.613 . . . . 71.219999999999999 111.588 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.97 77.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 72.150000000000006 110.0 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.09 67.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.601 -0.727 . . . . 73.409999999999997 111.303 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -146.73 134.4 21.07 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 116.28 -0.418 . . . . 60.549999999999997 110.564 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -54.37 47.3 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.218 -0.901 . . . . 74.239999999999995 110.234 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -52.46 -45.31 66.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.406 -0.815 . . . . 72.409999999999997 110.659 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -63.63 -56.72 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 71.329999999999998 111.088 -176.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.53 -51.48 66.92 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.206 0.527 . . . . 72.209999999999994 110.217 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -57.17 -53.89 52.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.291 -0.868 . . . . 72.349999999999994 111.252 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.51 -44.66 93.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 111.12 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -58.89 -50.05 80.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.944 -0.391 . . . . 62.399999999999999 109.944 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.6 t -58.32 -46.74 85.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.958 -0.565 . . . . 71.129999999999995 110.942 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.7 mt-30 -63.73 -32.9 74.54 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.729 0.3 . . . . 75.430000000000007 111.06 -176.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 p -76.38 -35.23 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 74.129999999999995 110.975 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 24' ' ' CYS . 10.1 pt-20 -77.28 -28.55 53.48 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.873 -0.331 . . . . 75.140000000000001 111.182 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.7 tpm_? -171.81 143.16 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.398 0.279 . . . . 75.439999999999998 110.453 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.43 98.91 0.07 Allowed 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.923 0.868 . . . . 70.409999999999997 110.325 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.737 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 75.8 m -167.4 120.4 0.94 Allowed 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 113.464 -1.698 . . . . 61.340000000000003 108.627 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 178.89 1.01 Allowed Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.874 -0.603 . . . . 71.129999999999995 112.341 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.48 146.22 18.69 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.944 -0.646 . . . . 42.119999999999997 112.538 -173.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -148.95 155.13 40.38 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.689 0.395 . . . . 71.040000000000006 110.201 -174.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -114.79 111.7 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.524 -0.547 . . . . 61.240000000000002 109.524 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -139.27 141.01 37.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.602 -0.518 . . . . 63.530000000000001 109.602 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.39 166.33 12.89 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.515 -0.634 . . . . 55.119999999999997 111.515 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -65.4 -39.92 92.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.35 . . . . 71.209999999999994 110.852 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -98.7 16.05 23.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.981 0.42 . . . . 72.200000000000003 110.115 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 4.3 mpt_? 56.22 77.62 0.24 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.697 -0.683 . . . . 73.430000000000007 111.06 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -85.81 152.43 23.02 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.378 -0.601 . . . . 72.230000000000004 109.378 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.8 t -70.72 112.77 7.2 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 123.446 0.466 . . . . 74.340000000000003 109.971 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -114.76 171.01 7.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.63 . . . . 62.530000000000001 109.438 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.737 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 78.6 m -130.53 145.69 51.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.817 -0.628 . . . . 45.240000000000002 110.783 -173.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -114.77 113.26 24.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.176 0.512 . . . . 64.040000000000006 110.119 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -118.74 167.57 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.58 -0.737 . . . . 63.210000000000001 110.06 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -101.16 126.1 47.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.353 -0.24 . . . . 74.200000000000003 110.353 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.966 -0.54 . . . . 63.219999999999999 109.829 175.744 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.677 0.275 . . . . 73.409999999999997 110.277 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 m -98.43 121.65 40.64 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.996 -0.372 . . . . 75.209999999999994 109.996 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 m -114.81 136.69 52.8 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 109.956 -0.387 . . . . 53.210000000000001 109.956 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 38.5 tt0 -114.84 130.96 56.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.267 -0.879 . . . . 75.400000000000006 109.978 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -129.35 -170.54 2.3 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.162 -1.051 . . . . 44.329999999999998 108.162 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 8.5 tt0 -114.63 153.37 30.29 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.672 -0.492 . . . . 73.040000000000006 109.672 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.3 p -114.66 100.09 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.265 0.555 . . . . 64.319999999999993 110.569 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.56 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 27.2 p-80 -88.01 -7.08 57.57 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.088 -0.505 . . . . 73.109999999999999 110.794 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' HG2' ' CD ' ' A' ' 27' ' ' GLU . 23.1 tptm -70.98 -20.5 62.42 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.235 -0.654 . . . . 60.140000000000001 109.235 174.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -91.14 108.67 20.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.225 -0.898 . . . . 72.329999999999998 109.794 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.35 105.42 9.59 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 110.205 -0.295 . . . . 41.399999999999999 110.205 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.75 178.54 15.45 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.401 -0.428 . . . . 63.520000000000003 112.876 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -81.84 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.025 2.483 . . . . 71.219999999999999 111.992 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.84 ' SG ' ' HG3' ' A' ' 39' ' ' ARG . 28.4 p -74.29 74.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.144 0.497 . . . . 72.150000000000006 110.142 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.95 62.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 73.409999999999997 110.639 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -149.92 124.86 9.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.941 -0.572 . . . . 60.549999999999997 109.858 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.96 -56.77 17.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.474 -0.33 . . . . 74.239999999999995 111.132 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -53.65 -43.03 68.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.24 -0.437 . . . . 72.409999999999997 110.41 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.32 -49.78 72.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 71.329999999999998 110.547 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.37 -46.7 83.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.646 -0.706 . . . . 72.209999999999994 110.225 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.8 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 72.349999999999994 110.757 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 26' ' ' THR . 16.0 t -59.6 -47.98 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.975 -0.557 . . . . 74.310000000000002 110.372 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.1 -48.31 86.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.372 0.606 . . . . 62.399999999999999 110.601 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 30' ' ' SER . 34.3 t -56.9 -34.08 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 71.129999999999995 110.019 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.5 mt-30 -84.74 -20.19 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.103 -0.498 . . . . 75.430000000000007 111.954 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 22' ' ' SER . 76.6 p -70.95 -27.95 64.12 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.492 -0.929 . . . . 74.129999999999995 108.492 170.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' CD ' ' HG2' ' A' ' 9' ' ' LYS . 38.7 mm-40 -71.21 -73.0 0.19 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.406 -0.815 . . . . 75.140000000000001 109.666 169.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 56.6 mtp85 -151.28 159.01 44.57 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.136 -0.69 . . . . 75.439999999999998 109.136 174.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.42 101.95 0.07 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.148 0.499 . . . . 70.409999999999997 111.058 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.471 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 53.9 m -158.4 115.22 2.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.604 -0.887 . . . . 61.340000000000003 108.604 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.08 154.54 10.11 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.854 -0.612 . . . . 71.129999999999995 112.315 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.03 113.27 2.91 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.91 -0.662 . . . . 42.119999999999997 112.587 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 33' ' ' ARG . 12.1 mmm180 -122.91 177.5 5.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 71.040000000000006 110.338 177.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 t -122.6 132.14 54.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.194 -0.457 . . . . 61.240000000000002 109.868 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.9 tpp180 -144.37 160.22 41.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 110.124 -0.325 . . . . 63.530000000000001 110.124 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.99 157.82 33.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.147 -0.549 . . . . 55.119999999999997 112.504 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -72.45 -18.19 61.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.096 0.474 . . . . 71.209999999999994 110.361 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -93.19 7.76 42.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.571 -0.741 . . . . 72.200000000000003 110.412 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.84 ' HG3' ' SG ' ' A' ' 14' ' ' CYS . 2.6 tpp180 60.58 42.95 13.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.697 -0.683 . . . . 73.430000000000007 110.65 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.56 ' NH2' ' HA ' ' A' ' 8' ' ' HIS . 18.1 tpt180 -83.83 151.01 25.38 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.59 -0.732 . . . . 72.230000000000004 111.346 -173.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 117.23 17.7 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.21 0.528 . . . . 74.340000000000003 111.74 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 10.0 m-85 -115.19 147.0 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.37 -0.832 . . . . 62.530000000000001 109.169 174.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 96.7 m -114.75 141.57 47.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.741 0.305 . . . . 45.240000000000002 110.777 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.6 p -114.56 115.43 27.18 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.331 -0.618 . . . . 64.040000000000006 109.331 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -122.85 169.01 11.55 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.825 0.345 . . . . 63.210000000000001 110.735 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -74.7 107.02 6.54 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.806 -0.634 . . . . 74.200000000000003 109.547 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.016 -0.993 . . . . 63.219999999999999 110.258 -171.736 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.722 0.296 . . . . 73.409999999999997 111.42 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -88.81 131.35 35.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.427 -0.582 . . . . 75.209999999999994 109.427 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -114.39 134.39 55.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.43 -0.35 . . . . 53.210000000000001 110.297 -174.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HB3' HG22 ' A' ' 44' ' ' THR . 12.8 pt-20 -114.52 158.41 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.291 0.567 . . . . 75.400000000000006 110.768 -178.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -145.78 -176.61 5.2 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.203 -1.036 . . . . 44.329999999999998 108.203 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -113.91 135.74 53.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.267 -0.642 . . . . 73.040000000000006 109.267 -173.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -114.63 100.01 7.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.382 0.611 . . . . 64.319999999999993 111.464 -167.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -98.51 10.72 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.377 -0.971 . . . . 73.109999999999999 108.377 168.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -64.14 -40.27 95.79 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.93 -1.032 . . . . 60.140000000000001 109.36 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.38 115.31 8.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.472 -0.936 . . . . 72.329999999999998 108.472 171.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -59.68 98.64 0.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.194 0.521 . . . . 41.399999999999999 111.476 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.61 -171.81 21.41 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.664 -0.698 . . . . 63.520000000000003 112.381 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.84 150.41 73.62 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.316 2.011 . . . . 71.219999999999999 111.191 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.37 100.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 72.150000000000006 111.199 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.37 84.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.365 -0.38 . . . . 73.409999999999997 110.746 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -152.79 130.18 11.35 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.883 -0.599 . . . . 60.549999999999997 110.307 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -52.7 -56.62 14.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.328 -0.851 . . . . 74.239999999999995 111.337 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -55.09 -33.58 62.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 111.083 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -72.64 -53.22 12.41 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.76 -0.654 . . . . 71.329999999999998 109.967 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -61.07 -34.51 75.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.09 0.471 . . . . 72.209999999999994 109.861 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -63.55 -52.47 60.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.591 -0.732 . . . . 72.349999999999994 110.141 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -55.44 -47.34 76.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 74.310000000000002 110.359 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -57.16 -48.65 81.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.724 -0.671 . . . . 62.399999999999999 110.958 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.16 -34.79 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 71.129999999999995 110.6 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 97.1 mt-30 -76.68 -30.22 56.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.058 -0.519 . . . . 75.430000000000007 110.911 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -76.08 -39.91 54.27 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.672 -0.24 . . . . 74.129999999999995 111.145 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.53 -44.41 71.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.437 -0.505 . . . . 75.140000000000001 111.362 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG3' ' H ' ' A' ' 29' ' ' PHE . 21.8 tpt180 -156.39 176.23 12.97 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.501 0.191 . . . . 75.439999999999998 111.118 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' H ' ' HG3' ' A' ' 28' ' ' ARG . 38.9 t80 -73.27 102.16 3.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.707 0.765 . . . . 70.409999999999997 110.153 172.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 p -177.03 114.79 0.1 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.97 -1.468 . . . . 61.340000000000003 110.029 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.29 145.29 38.96 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.865 -0.894 . . . . 71.129999999999995 110.865 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.533 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.53 148.89 18.85 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.514 -0.851 . . . . 42.119999999999997 112.759 -174.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -158.69 143.42 15.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.654 -0.869 . . . . 71.040000000000006 108.654 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.7 m -114.19 132.54 56.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.685 -0.487 . . . . 61.240000000000002 109.685 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 108.83 1.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.483 -0.562 . . . . 63.530000000000001 109.483 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.45 -103.85 1.78 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.956 -0.858 . . . . 55.119999999999997 110.956 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -132.63 -68.12 0.62 Allowed 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 122.546 0.338 . . . . 71.209999999999994 110.541 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -135.49 88.76 2.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.429 0.633 . . . . 72.200000000000003 111.85 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 10.3 ptp85 -149.95 -45.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.364 -0.834 . . . . 73.430000000000007 109.719 172.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 14.3 tpp180 -159.55 140.6 12.61 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.03 -0.532 . . . . 72.230000000000004 109.64 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.4 t -103.92 148.3 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.714 -0.476 . . . . 74.340000000000003 109.714 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -134.75 155.32 50.78 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.427 0.454 . . . . 62.530000000000001 110.297 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -124.69 149.87 46.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 45.240000000000002 110.356 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 4' ' ' GLU . 24.1 p -131.51 130.21 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 64.040000000000006 110.402 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -131.1 178.86 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.212 -0.449 . . . . 63.210000000000001 110.031 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -97.19 128.49 44.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 74.200000000000003 111.024 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.782 -0.628 . . . . 63.219999999999999 109.962 173.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.134 -0.321 . . . . 73.409999999999997 110.134 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 m -103.55 128.85 50.71 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.393 -0.595 . . . . 75.209999999999994 109.393 173.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m -128.9 144.49 51.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 53.210000000000001 110.973 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 124.77 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.597 -0.729 . . . . 75.400000000000006 110.166 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -112.96 -176.19 2.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.236 -0.653 . . . . 44.329999999999998 109.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -117.83 141.95 47.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.819 0.342 . . . . 73.040000000000006 110.22 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 p -114.74 108.82 17.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.929 -0.578 . . . . 64.319999999999993 110.176 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -104.14 -3.24 24.7 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.695 -0.684 . . . . 73.109999999999999 109.631 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -66.38 -28.15 68.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.593 -0.73 . . . . 60.140000000000001 111.163 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.2 102.38 0.64 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.164 -0.68 . . . . 72.329999999999998 109.164 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -75.98 142.29 41.96 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.854 -0.612 . . . . 41.399999999999999 111.35 -172.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.15 -158.13 25.46 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 116.141 -0.481 . . . . 63.520000000000003 112.233 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -87.25 177.98 3.66 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.235 2.624 . . . . 71.219999999999999 111.416 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.9 t -75.19 75.42 2.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 72.150000000000006 109.351 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.34 83.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.579 -0.737 . . . . 73.409999999999997 111.291 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.1 t -160.04 130.36 5.5 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.172 -0.467 . . . . 60.549999999999997 110.284 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -63.16 -40.16 96.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.492 . . . . 74.239999999999995 110.074 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -64.49 -37.55 87.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.508 -0.769 . . . . 72.409999999999997 109.743 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -75.46 -38.31 59.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.652 -0.704 . . . . 71.329999999999998 110.747 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.3 t -55.89 -48.29 75.88 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 109.546 -0.538 . . . . 72.209999999999994 109.546 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 32' ' ' GLY . . . -61.31 -47.48 85.74 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.507 -0.77 . . . . 72.349999999999994 110.681 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 t -55.17 -53.48 55.44 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.797 -0.638 . . . . 74.310000000000002 110.723 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.94 -52.96 48.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.943 -0.572 . . . . 62.399999999999999 110.57 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -56.13 -41.49 75.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 71.129999999999995 110.561 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -72.47 -36.58 68.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.553 -0.294 . . . . 75.430000000000007 111.462 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -67.97 -27.48 66.63 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.926 0.393 . . . . 74.129999999999995 110.22 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -75.25 -53.71 8.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.077 -0.511 . . . . 75.140000000000001 110.371 173.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.4 148.52 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 75.439999999999998 109.825 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.32 102.93 0.34 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.561 0.696 . . . . 70.409999999999997 109.842 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . 49.8 m -162.98 113.18 1.4 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.397 -1.274 . . . . 61.340000000000003 109.492 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.08 117.51 10.46 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 111.283 -0.727 . . . . 71.129999999999995 111.283 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -114.37 132.03 10.23 Favored Glycine 0 C--N 1.328 0.128 0 C-N-CA 120.525 -0.845 . . . . 42.119999999999997 113.169 -168.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 2.8 mmp_? -120.53 176.07 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.578 -0.527 . . . . 71.040000000000006 109.578 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 t -114.75 149.13 37.38 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.985 0.422 . . . . 61.240000000000002 110.449 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.777 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 4.4 tpm_? -123.38 120.89 34.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 63.530000000000001 109.497 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 37' ' ' PHE . . . 71.93 -106.47 1.93 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.456 -0.658 . . . . 55.119999999999997 111.456 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 57.0 t80 176.93 -35.71 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.83 0.348 . . . . 71.209999999999994 110.401 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -52.35 -53.9 38.71 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.865 -0.607 . . . . 72.200000000000003 111.314 -175.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 178.61 84.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 110.132 -0.321 . . . . 73.430000000000007 110.132 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.777 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -159.24 130.59 6.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.462 -0.336 . . . . 72.230000000000004 110.494 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.07 137.17 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 74.340000000000003 109.79 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -129.57 133.13 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.391 -0.368 . . . . 62.530000000000001 110.092 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 30' ' ' SER . 79.2 m -115.02 144.21 43.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.112 -0.494 . . . . 45.240000000000002 110.63 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -120.7 135.67 55.07 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.295 -0.411 . . . . 64.040000000000006 110.112 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -147.09 170.16 17.74 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.959 -0.564 . . . . 63.210000000000001 110.468 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -82.76 110.09 17.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.829 -0.623 . . . . 74.200000000000003 109.972 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.247 0.961 0 N-CA-C 108.965 -0.754 . . . . 63.219999999999999 108.965 175.353 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 1' ' ' ARG . 19.2 ptt-85 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.488 -0.19 . . . . 73.409999999999997 110.488 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -97.1 133.84 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.321 -0.622 . . . . 75.209999999999994 109.321 172.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -114.48 109.0 17.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.732 -0.47 . . . . 53.210000000000001 109.732 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -125.18 125.48 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.392 0.615 . . . . 75.400000000000006 110.832 -174.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -104.91 177.01 4.97 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.027 -0.988 . . . . 44.329999999999998 108.414 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -114.45 135.54 53.99 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.811 -0.811 . . . . 73.040000000000006 108.811 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.407 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 23.1 t -114.56 99.51 7.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.525 0.678 . . . . 64.319999999999993 110.291 -175.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -96.19 9.79 39.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 73.109999999999999 108.933 172.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.03 -0.986 . . . . 60.140000000000001 108.913 168.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -73.82 154.28 39.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.104 -0.953 . . . . 72.329999999999998 109.169 172.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -77.4 80.56 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.129 0.49 . . . . 41.399999999999999 111.484 -173.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.67 -134.99 14.81 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 115.503 -0.771 . . . . 63.520000000000003 113.074 175.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.25 166.09 29.37 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.24 2.627 . . . . 71.219999999999999 112.304 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 44.5 t -73.81 86.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 72.150000000000006 110.752 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -16.25 61.51 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.888 -0.596 . . . . 73.409999999999997 110.472 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.5 t -164.26 119.46 1.51 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.431 -0.804 . . . . 60.549999999999997 109.952 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 4.9 p-10 -62.48 -39.61 94.01 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 110.105 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -62.74 -42.41 99.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 72.409999999999997 110.199 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -68.59 -48.98 62.76 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.875 -0.602 . . . . 71.329999999999998 110.01 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.44 -49.27 55.44 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.271 0.558 . . . . 72.209999999999994 110.21 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -58.99 -54.91 41.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.333 -0.849 . . . . 72.349999999999994 111.238 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 26' ' ' THR . 12.4 t -56.64 -42.75 79.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 74.310000000000002 110.922 -175.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 64.6 t -60.69 -55.45 24.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.025 0.44 . . . . 62.399999999999999 110.406 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.7 -31.65 70.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.081 -0.509 . . . . 71.129999999999995 110.781 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -74.96 -33.89 61.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 111.491 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 22' ' ' SER . 29.7 p -75.21 -33.92 61.44 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.088 -0.245 . . . . 74.129999999999995 110.547 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 45.7 mt-10 -63.08 -48.73 77.37 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 110.122 -0.325 . . . . 75.140000000000001 110.122 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 28' ' ' ARG . 17.1 mtp180 -164.9 177.21 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.63 0.772 . . . . 75.439999999999998 109.806 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -69.05 101.56 1.44 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 122.06 0.933 . . . . 70.409999999999997 109.919 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -163.6 115.1 1.41 Allowed 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 113.869 -1.514 . . . . 61.340000000000003 108.364 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.69 168.44 13.3 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.106 -0.569 . . . . 71.129999999999995 112.077 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.74 153.92 17.32 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.953 -0.641 . . . . 42.119999999999997 112.087 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -151.82 159.25 43.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.694 -0.484 . . . . 71.040000000000006 109.694 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 83.1 m -137.54 100.23 4.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.511 -0.922 . . . . 61.240000000000002 108.511 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 71.6 ttt180 -92.42 152.2 19.84 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.468 -0.787 . . . . 63.530000000000001 111.603 -168.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.02 66.45 2.16 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.317 -0.856 . . . . 55.119999999999997 112.099 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.0 t80 64.35 35.79 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.83 0.824 . . . . 71.209999999999994 109.474 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 15.1 mmt180 63.52 20.46 12.26 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.292 -0.867 . . . . 72.200000000000003 111.86 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -71.81 -48.51 45.88 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.449 0.537 . . . . 73.430000000000007 112.449 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.1 tpp180 -121.42 142.87 49.59 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 122.113 -0.367 . . . . 72.230000000000004 111.93 -171.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 13.5 t -78.99 128.65 33.54 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.752 -0.658 . . . . 74.340000000000003 111.273 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 45.6 m-85 -129.13 160.57 32.43 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.94 0.896 . . . . 62.530000000000001 109.066 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -115.46 134.44 55.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.958 -0.386 . . . . 45.240000000000002 109.958 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -114.65 132.65 56.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.628 0.251 . . . . 64.040000000000006 110.77 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -156.12 -179.96 8.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.746 -0.464 . . . . 63.210000000000001 109.746 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -106.9 109.56 21.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.561 -0.533 . . . . 74.200000000000003 109.561 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 118.444 -0.789 . . . . 63.219999999999999 109.954 179.577 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.832 0.349 . . . . 73.409999999999997 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.9 m -82.86 130.7 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 75.209999999999994 110.385 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.7 m -114.64 135.62 53.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.355 -0.609 . . . . 53.210000000000001 109.355 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -114.74 123.42 49.2 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.347 0.594 . . . . 75.400000000000006 111.188 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 p -105.61 176.02 5.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.33 -0.85 . . . . 44.329999999999998 109.255 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -114.72 154.4 28.55 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.712 -0.847 . . . . 73.040000000000006 108.712 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -114.68 99.7 7.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.5 0.667 . . . . 64.319999999999993 110.008 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -87.42 -5.4 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.082 -1.081 . . . . 73.109999999999999 108.082 169.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.62 -47.91 82.78 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.688 -1.142 . . . . 60.140000000000001 108.87 172.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -69.77 130.74 43.15 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.849 -1.069 . . . . 72.329999999999998 109.235 173.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -102.46 102.5 12.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.279 -0.419 . . . . 41.399999999999999 111.25 -172.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.97 -172.45 15.79 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.633 -0.712 . . . . 63.520000000000003 112.018 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.02 146.81 37.58 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 71.219999999999999 110.676 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.698 ' SG ' ' HB3' ' A' ' 39' ' ' ARG . 29.1 p -70.47 78.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.198 0.523 . . . . 72.150000000000006 110.35 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.65 66.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.703 -0.68 . . . . 73.409999999999997 111.125 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -126.36 114.84 18.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.208 -0.451 . . . . 60.549999999999997 110.186 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -58.0 -51.97 67.46 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.913 -0.585 . . . . 74.239999999999995 111.409 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -58.6 -42.35 87.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.841 0.353 . . . . 72.409999999999997 110.686 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 23' ' ' VAL . 25.5 t-20 -62.83 -58.82 6.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.639 -0.709 . . . . 71.329999999999998 110.635 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -52.37 -49.16 64.95 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.101 -0.499 . . . . 72.209999999999994 110.927 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.95 -55.42 30.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.43 -0.805 . . . . 72.349999999999994 110.486 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.8 t -57.65 -41.81 82.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.310000000000002 110.735 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 19' ' ' ASN . 54.9 t -56.12 -46.79 81.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.379 -0.373 . . . . 62.399999999999999 110.325 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 30' ' ' SER . 43.0 t -60.9 -46.79 89.23 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.566 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.35 -31.08 71.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.631 -0.258 . . . . 75.430000000000007 111.532 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.3 p -83.08 -27.41 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.578 0.228 . . . . 74.129999999999995 111.221 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -77.23 -39.67 47.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.498 -0.319 . . . . 75.140000000000001 110.63 -178.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.541 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 4.8 mmp_? -157.18 -171.86 3.79 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.092 0.472 . . . . 75.439999999999998 110.909 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.3 83.58 3.89 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.109 -0.7 . . . . 70.409999999999997 109.109 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 55.5 m -161.92 119.38 2.18 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.317 -1.31 . . . . 61.340000000000003 108.258 -175.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.17 138.43 47.71 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.742 -0.663 . . . . 71.129999999999995 111.636 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.18 11.57 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.933 -0.651 . . . . 42.119999999999997 112.901 -173.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.26 -179.38 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.561 0.744 . . . . 71.040000000000006 109.514 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 70.9 m -114.06 130.3 56.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 61.240000000000002 110.179 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -139.27 131.23 27.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.831 -0.803 . . . . 63.530000000000001 108.831 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.446 ' N ' ' HD3' ' A' ' 35' ' ' ARG . . . 117.01 162.34 12.62 Favored Glycine 0 C--N 1.33 0.212 0 N-CA-C 111.875 -0.49 . . . . 55.119999999999997 111.875 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -68.57 -30.98 69.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.328 0.585 . . . . 71.209999999999994 110.358 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 12.8 tpt180 -89.7 5.84 44.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.622 -0.717 . . . . 72.200000000000003 110.74 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.698 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.9 mtp180 54.73 65.76 1.42 Allowed 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.348 0.594 . . . . 73.430000000000007 110.717 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -83.82 133.49 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.397 -0.82 . . . . 72.230000000000004 109.095 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.627 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 58.9 m -67.13 116.54 8.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 74.340000000000003 110.96 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -116.03 147.01 41.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 62.530000000000001 109.809 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.2 m -115.31 152.55 32.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.593 . . . . 45.240000000000002 110.581 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -135.04 128.16 31.77 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.184 -0.462 . . . . 64.040000000000006 110.614 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -136.63 -179.89 5.96 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.614 -0.721 . . . . 63.210000000000001 109.753 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -103.9 138.92 39.78 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.784 -0.189 . . . . 74.200000000000003 110.514 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.067 -0.492 . . . . 63.219999999999999 110.12 176.165 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 110.172 -0.307 . . . . 73.409999999999997 110.172 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.6 m -106.63 145.17 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.88 0.371 . . . . 75.209999999999994 110.189 176.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HB2' HG23 ' A' ' 45' ' ' THR . 35.2 m -114.76 114.02 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.252 -0.647 . . . . 53.210000000000001 109.252 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -114.71 127.84 55.98 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.158 0.504 . . . . 75.400000000000006 109.968 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 m -125.26 178.28 5.67 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.387 -0.968 . . . . 44.329999999999998 108.387 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -114.28 152.51 31.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.877 -0.786 . . . . 73.040000000000006 108.877 -176.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.477 ' OG ' ' SG ' ' A' ' 43' ' ' CYS . 2.1 m -113.75 99.55 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.262 0.553 . . . . 64.319999999999993 110.314 -172.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -93.5 3.04 56.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.429 -0.805 . . . . 73.109999999999999 109.672 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.21 -32.51 63.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.569 -0.742 . . . . 60.140000000000001 109.387 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -78.72 118.11 20.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.827 -0.805 . . . . 72.329999999999998 108.827 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -86.9 113.71 22.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.132 0.491 . . . . 41.399999999999999 110.617 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.55 175.38 37.11 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.273 -0.876 . . . . 63.520000000000003 112.136 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.32 164.46 35.57 Favored 'Trans proline' 0 C--O 1.239 0.546 0 C-N-CA 122.508 2.139 . . . . 71.219999999999999 111.764 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 95.3 m -60.69 93.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 72.150000000000006 111.829 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -29.48 69.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.77 -0.65 . . . . 73.409999999999997 109.382 169.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -148.35 123.67 10.27 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.212 -0.904 . . . . 60.549999999999997 110.134 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.68 -33.12 71.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.28 -0.418 . . . . 74.239999999999995 110.104 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.34 -52.18 59.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.664 -0.698 . . . . 72.409999999999997 110.086 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.54 -47.64 84.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.39 -0.823 . . . . 71.329999999999998 110.052 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -58.32 -50.3 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 72.209999999999994 110.795 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.552 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.59 -44.89 95.72 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.177 -0.465 . . . . 72.349999999999994 110.463 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -57.68 -39.58 77.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 74.310000000000002 109.947 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 t -63.15 -46.81 94.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.538 -0.755 . . . . 62.399999999999999 110.877 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.75 -42.17 71.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.91 0.386 . . . . 71.129999999999995 110.297 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 92.5 mt-30 -65.45 -43.01 91.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.824 -0.626 . . . . 75.430000000000007 111.199 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -68.23 -31.47 71.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 74.129999999999995 110.952 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.05 -66.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 75.140000000000001 110.264 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -155.21 -173.99 4.79 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.438 0.295 . . . . 75.439999999999998 110.383 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -72.1 85.41 1.02 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.729 0.776 . . . . 70.409999999999997 109.821 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.8 m -158.75 117.05 2.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.642 -1.163 . . . . 61.340000000000003 108.326 -174.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.23 172.33 4.59 Favored Glycine 0 C--N 1.321 -0.253 0 N-CA-C 111.427 -0.669 . . . . 71.129999999999995 111.427 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -127.94 149.68 18.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.43 -0.89 . . . . 42.119999999999997 112.663 -177.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -156.39 148.84 23.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.624 -0.51 . . . . 71.040000000000006 109.624 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.83 110.93 20.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.992 -0.744 . . . . 61.240000000000002 108.992 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.644 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 5.2 ppt_? -132.54 133.0 43.19 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.504 0.669 . . . . 63.530000000000001 111.165 -173.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.99 155.0 9.3 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 110.521 -1.032 . . . . 55.119999999999997 110.521 -173.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -68.26 -24.03 64.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.203 0.525 . . . . 71.209999999999994 110.729 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -83.94 -0.53 51.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.634 . . . . 72.200000000000003 110.53 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.616 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 56.42 70.07 0.68 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.649 -0.501 . . . . 73.430000000000007 109.649 -172.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -93.88 133.31 37.43 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.011 -0.54 . . . . 72.230000000000004 110.702 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.583 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 10.5 m -72.94 124.7 25.96 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.58 -0.737 . . . . 74.340000000000003 112.239 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 88.5 m-85 -128.47 144.63 51.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.168 -0.924 . . . . 62.530000000000001 109.244 173.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.477 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 36.6 m -114.67 134.62 54.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.966 -0.753 . . . . 45.240000000000002 108.966 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -114.73 116.05 28.03 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.265 0.555 . . . . 64.040000000000006 111.681 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 3' ' ' CYS . 8.2 t -121.67 -179.84 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.763 -0.829 . . . . 63.210000000000001 108.763 174.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -117.57 16.49 14.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.646 0.26 . . . . 74.200000000000003 110.63 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.395 -0.821 . . . . 63.219999999999999 111.456 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.924 -0.399 . . . . 73.409999999999997 109.924 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.9 m -147.92 147.54 29.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 75.209999999999994 110.756 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -129.24 127.03 40.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.55 -0.537 . . . . 53.210000000000001 109.55 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.636 ' HB3' HG22 ' A' ' 44' ' ' THR . 8.8 pt-20 -128.79 126.36 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 75.400000000000006 110.269 -177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -123.83 -176.49 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.714 -0.675 . . . . 44.329999999999998 109.744 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.502 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 8.3 tt0 -114.62 133.59 55.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.781 0.324 . . . . 73.040000000000006 110.2 -174.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 t -114.79 120.33 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 64.319999999999993 110.413 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -102.7 10.17 38.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.326 -0.62 . . . . 73.109999999999999 109.326 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.2 -35.47 79.69 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.817 -0.629 . . . . 60.140000000000001 109.532 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.67 -178.98 1.61 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.102 -0.954 . . . . 72.329999999999998 109.337 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.28 36.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.195 0.443 . . . . 41.399999999999999 112.195 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.87 -111.32 3.66 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-O 119.77 -0.461 . . . . 63.520000000000003 112.12 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.63 100.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.64 2.227 . . . . 71.219999999999999 111.5 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.8 t -48.12 108.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 72.150000000000006 111.88 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.34 69.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.757 -0.656 . . . . 73.409999999999997 110.296 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -143.03 121.95 12.75 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.857 -0.61 . . . . 60.549999999999997 110.844 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.771 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 14.6 t70 -55.32 -44.14 75.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.357 -0.838 . . . . 74.239999999999995 110.363 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.81 -41.4 82.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.705 -0.68 . . . . 72.409999999999997 110.806 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.91 -45.39 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 110.533 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.62 -42.03 91.77 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.279 -0.637 . . . . 72.209999999999994 109.279 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -60.89 -52.09 66.54 Favored 'General case' 0 CA--C 1.523 -0.063 0 CA-C-N 115.426 -0.806 . . . . 72.349999999999994 110.876 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 26' ' ' THR . 26.8 t -55.4 -45.95 76.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 74.310000000000002 110.311 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -57.5 -58.36 6.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.985 -0.552 . . . . 62.399999999999999 110.73 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.92 -31.99 70.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.267 -0.424 . . . . 71.129999999999995 111.137 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -79.02 -32.97 45.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.466 -0.334 . . . . 75.430000000000007 111.391 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 22' ' ' SER . 24.9 p -69.19 -37.5 78.17 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.558 -0.534 . . . . 74.129999999999995 109.558 177.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -55.78 -67.35 0.3 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.152 -0.477 . . . . 75.140000000000001 111.01 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtm-85 -149.94 -176.84 5.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.696 -0.684 . . . . 75.439999999999998 110.404 -173.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.95 100.16 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.944 0.878 . . . . 70.409999999999997 109.296 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 p -172.85 115.25 0.28 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.654 -1.612 . . . . 61.340000000000003 109.837 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.04 146.47 43.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.104 -0.799 . . . . 71.129999999999995 111.104 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.29 141.77 17.18 Favored Glycine 0 CA--C 1.507 -0.451 0 C-N-CA 120.523 -0.846 . . . . 42.119999999999997 111.343 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -143.92 150.51 38.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.343 -0.614 . . . . 71.040000000000006 109.343 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.771 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.3 m -114.77 100.13 8.01 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.136 -0.69 . . . . 61.240000000000002 109.136 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -112.7 153.74 27.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.256 -0.884 . . . . 63.530000000000001 110.663 -169.677 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.46 148.53 8.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.34 -0.457 . . . . 55.119999999999997 112.05 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -58.35 -22.36 53.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.163 0.506 . . . . 71.209999999999994 110.799 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -76.51 0.96 18.03 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.738 -0.665 . . . . 72.200000000000003 111.137 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 61.18 42.44 12.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.013 0.435 . . . . 73.430000000000007 109.981 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD2' ' OE1' ' A' ' 6' ' ' GLN . 5.5 tpp85 -79.33 131.03 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 72.230000000000004 111.225 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.12 123.84 29.33 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.004 0.431 . . . . 74.340000000000003 111.474 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -122.87 146.6 47.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.713 -0.676 . . . . 62.530000000000001 110.458 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 35.8 m -114.88 132.28 56.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 45.240000000000002 109.712 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 4' ' ' GLU . 27.9 p -121.68 122.22 39.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 64.040000000000006 110.612 -173.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -137.28 176.58 8.58 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.81 -0.441 . . . . 63.210000000000001 109.81 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -101.2 124.38 46.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.598 0.237 . . . . 74.200000000000003 111.434 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.1 m . . . . . 0 C--O 1.248 0.994 0 N-CA-C 109.279 -0.637 . . . . 63.219999999999999 109.279 170.328 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 1' ' ' ARG . 12.0 mmt180 . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.057 -0.349 . . . . 73.409999999999997 110.057 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.6 m -109.26 146.93 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 75.209999999999994 110.968 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -114.76 148.74 37.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.94 -0.763 . . . . 53.210000000000001 108.94 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 169.76 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.835 0.35 . . . . 75.400000000000006 110.558 -177.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -159.04 170.83 21.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 44.329999999999998 109.334 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -117.83 130.75 56.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.83 0.348 . . . . 73.040000000000006 110.561 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 65.1 m -114.57 99.39 7.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.489 . . . . 64.319999999999993 111.918 -177.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -103.26 14.89 30.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.035 -1.098 . . . . 73.109999999999999 108.035 166.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 1.3 mptp? -60.67 -27.65 68.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 114.619 -1.173 . . . . 60.140000000000001 109.111 175.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.9 102.8 11.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.395 -1.275 . . . . 72.329999999999998 109.236 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HD3' ' H ' ' A' ' 11' ' ' LYS . 3.0 mppt? -72.44 124.1 24.47 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.485 -0.325 . . . . 41.399999999999999 110.558 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -171.47 21.62 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 115.892 -0.594 . . . . 63.520000000000003 112.087 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 138.6 66.58 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.574 2.183 . . . . 71.219999999999999 111.647 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.62 87.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.134 0.492 . . . . 72.150000000000006 110.238 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.16 25.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.459 -0.791 . . . . 73.409999999999997 111.965 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -146.41 141.17 26.9 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 120.999 0.428 . . . . 60.549999999999997 111.635 -174.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.433 ' CG ' HH21 ' A' ' 33' ' ' ARG . 4.8 m-20 -57.9 -41.64 83.02 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.418 -0.81 . . . . 74.239999999999995 109.675 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -51.47 -47.07 63.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.271 -0.877 . . . . 72.409999999999997 110.397 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.31 -50.88 27.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.194 -0.912 . . . . 71.329999999999998 110.636 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -60.83 -39.05 87.57 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.026 0.441 . . . . 72.209999999999994 110.079 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.82 78.44 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.883 -0.599 . . . . 72.349999999999994 110.591 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 26' ' ' THR . 35.7 t -55.47 -49.18 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 74.310000000000002 110.034 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.74 -49.31 85.06 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.547 -0.752 . . . . 62.399999999999999 110.716 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.1 t -57.24 -36.69 71.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.523 -0.762 . . . . 71.129999999999995 110.28 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 79.1 mt-30 -76.8 -29.13 55.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.792 -0.64 . . . . 75.430000000000007 111.294 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 22' ' ' SER . 40.0 p -71.24 -29.59 65.3 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.739 -0.467 . . . . 74.129999999999995 109.739 176.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HB3' ' HD3' ' A' ' 28' ' ' ARG . 8.4 mt-10 -68.02 -73.24 0.15 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.257 -0.577 . . . . 75.140000000000001 110.376 169.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -141.26 176.31 8.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.916 0.388 . . . . 75.439999999999998 110.215 179.014 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -66.8 110.76 3.41 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.159 0.504 . . . . 70.409999999999997 110.045 172.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.586 ' HB2' ' HB3' ' A' ' 43' ' ' CYS . 3.4 p -173.94 112.76 0.19 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.915 -1.039 . . . . 61.340000000000003 110.492 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 149.25 51.65 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.908 -0.587 . . . . 71.129999999999995 111.711 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.85 150.18 18.74 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 42.119999999999997 113.332 -172.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.433 HH21 ' CG ' ' A' ' 17' ' ' ASP . 4.5 tpm_? -151.6 149.59 29.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.004 -1.109 . . . . 71.040000000000006 108.004 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.826 ' SG ' ' HA ' ' A' ' 38' ' ' ARG . 39.7 t -114.18 113.37 24.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.919 0.39 . . . . 61.240000000000002 110.278 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -117.59 -168.41 1.49 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.646 -0.706 . . . . 63.530000000000001 110.346 -174.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.66 31.73 76.16 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 111.988 -0.445 . . . . 55.119999999999997 111.988 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.0 t80 56.19 57.91 4.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.498 0.666 . . . . 71.209999999999994 109.775 -172.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.826 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 81.5 mtt180 61.5 28.15 17.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.152 -0.931 . . . . 72.200000000000003 111.637 173.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -127.65 -7.95 5.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.001 -0.545 . . . . 73.430000000000007 111.345 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HG2' ' CE1' ' A' ' 42' ' ' PHE . 43.0 ttt180 -138.67 99.07 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 72.230000000000004 110.101 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.7 131.8 34.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.498 -0.319 . . . . 74.340000000000003 110.363 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' CE1' ' HG2' ' A' ' 40' ' ' ARG . 74.8 m-85 -116.77 157.24 25.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.002 0.429 . . . . 62.530000000000001 110.474 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 86.5 m -124.83 157.36 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 45.240000000000002 110.326 176.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 p -132.93 124.08 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.896 -0.593 . . . . 64.040000000000006 109.885 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -126.89 162.55 25.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.25 -0.432 . . . . 63.210000000000001 110.51 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -97.82 114.64 26.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 74.200000000000003 109.653 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 119.108 -0.472 . . . . 63.219999999999999 109.847 177.057 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 110.17 -0.307 . . . . 73.409999999999997 110.17 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.1 m -144.56 124.91 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 75.209999999999994 110.264 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.8 m -114.73 108.3 16.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 53.210000000000001 110.358 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.661 ' HB3' HG22 ' A' ' 44' ' ' THR . 12.6 pt-20 -114.85 111.86 21.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.471 0.653 . . . . 75.400000000000006 110.539 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -94.35 -164.97 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.857 -1.065 . . . . 44.329999999999998 108.913 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.517 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 21.2 tm0? -113.85 159.28 20.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.226 -1.027 . . . . 73.040000000000006 108.226 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 1.4 m -113.38 99.64 7.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.392 0.615 . . . . 64.319999999999993 110.754 -169.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -88.61 -4.38 58.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.303 -0.862 . . . . 73.109999999999999 110.396 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.64 -21.47 23.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.855 -0.611 . . . . 60.140000000000001 111.649 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -78.47 151.86 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.66 -0.496 . . . . 72.329999999999998 109.66 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.41 92.41 5.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.997 0.903 . . . . 41.399999999999999 110.196 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.24 -148.47 34.38 Favored Glycine 0 C--N 1.307 -1.068 0 CA-C-N 113.906 -1.497 . . . . 63.520000000000003 112.34 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -80.92 -173.2 1.75 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.757 2.305 . . . . 71.219999999999999 111.548 176.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.9 m -68.84 84.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 72.150000000000006 111.247 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.6 -26.19 64.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.419 0.628 . . . . 73.409999999999997 109.937 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -151.97 111.4 3.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.314 -0.857 . . . . 60.549999999999997 108.936 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.533 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 2.6 m-20 -54.93 -47.78 73.98 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.352 0.407 . . . . 74.239999999999995 111.072 -173.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -59.97 -42.82 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 72.409999999999997 110.456 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.94 -49.41 72.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 71.329999999999998 109.953 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -57.8 -44.02 86.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.522 -0.763 . . . . 72.209999999999994 110.433 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -59.92 -49.32 78.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 72.349999999999994 110.64 177.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -58.95 -44.75 91.48 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.258 0.552 . . . . 74.310000000000002 110.37 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.89 -43.97 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.634 -0.712 . . . . 62.399999999999999 110.352 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 98.5 m -69.45 -22.16 63.67 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.393 -0.367 . . . . 71.129999999999995 111.184 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 76.7 mt-30 -73.04 -37.07 67.0 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.852 0.358 . . . . 75.430000000000007 110.326 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -77.86 -24.65 48.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.185 0.517 . . . . 74.129999999999995 111.223 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.603 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 35.2 mm-40 -85.71 -70.26 0.61 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.901 -0.591 . . . . 75.140000000000001 111.459 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.603 ' NH1' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.88 -179.09 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 75.439999999999998 111.253 -176.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -86.45 -51.23 6.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.737 -0.665 . . . . 70.409999999999997 112.407 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.557 ' H ' ' HA ' ' A' ' 45' ' ' THR . 16.3 m -86.88 -23.98 25.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.655 0.613 . . . . 61.340000000000003 112.655 -169.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.535 ' HA2' ' HG2' ' A' ' 25' ' ' GLN . . . 137.3 -138.57 9.82 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.24 -0.981 . . . . 71.129999999999995 112.846 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -144.62 -179.86 21.32 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.242 -0.504 . . . . 42.119999999999997 113.254 -174.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 6.2 tpp180 -158.38 147.67 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.905 0.482 . . . . 71.040000000000006 109.874 -175.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 56.7 m -126.67 119.73 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.701 -0.852 . . . . 61.240000000000002 108.701 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -170.0 160.36 8.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.032 0.444 . . . . 63.530000000000001 111.9 -168.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.67 -129.4 9.84 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.572 -0.74 . . . . 55.119999999999997 114.609 165.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 39.2 m-85 -56.06 102.89 0.08 Allowed 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.211 0.604 . . . . 71.209999999999994 111.758 -170.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 57.25 29.02 16.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.847 -0.615 . . . . 72.200000000000003 111.18 175.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 66.31 64.77 0.51 Allowed 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.544 -0.91 . . . . 73.430000000000007 108.544 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HE ' ' NE2' ' A' ' 6' ' ' GLN . 11.9 tpt180 -86.06 153.31 22.21 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.912 -1.04 . . . . 72.230000000000004 111.468 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.3 m -79.25 123.26 27.27 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.404 -0.816 . . . . 74.340000000000003 111.338 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 66.8 m-85 -122.76 148.25 45.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.144 -0.935 . . . . 62.530000000000001 108.861 175.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.452 ' SG ' ' OG ' ' A' ' 7' ' ' SER . 79.8 m -117.11 143.28 45.97 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 45.240000000000002 109.763 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 4' ' ' GLU . 77.8 p -114.66 134.05 55.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.775 0.321 . . . . 64.040000000000006 110.262 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.557 ' HA ' ' H ' ' A' ' 30' ' ' SER . 6.8 t -139.56 170.8 15.25 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.211 -0.45 . . . . 63.210000000000001 110.067 -178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -91.36 136.63 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 74.200000000000003 110.748 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--O 1.247 0.923 0 N-CA-C 109.128 -0.693 . . . . 63.219999999999999 109.128 171.876 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.1 0.476 . . . . 73.409999999999997 110.525 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.2 m -126.62 124.31 39.61 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.803 -0.635 . . . . 75.209999999999994 109.77 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.541 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 78.8 m -114.66 154.66 28.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.267 -0.271 . . . . 53.210000000000001 110.267 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -114.87 157.91 22.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.906 0.384 . . . . 75.400000000000006 110.433 177.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -151.12 177.39 10.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.995 -0.548 . . . . 44.329999999999998 110.216 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.416 ' NE2' ' HG2' ' A' ' 40' ' ' ARG . 5.2 tp-100 -114.52 136.8 52.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.91 -0.404 . . . . 73.040000000000006 109.91 -177.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.6 t -126.56 114.54 18.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.108 0.48 . . . . 64.319999999999993 110.816 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -97.21 11.14 37.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.093 -0.706 . . . . 73.109999999999999 109.093 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -68.72 -40.35 79.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.02 -0.991 . . . . 60.140000000000001 109.988 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 14' ' ' CYS . 55.6 t80 -65.23 108.04 1.77 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.718 -0.845 . . . . 72.329999999999998 108.718 175.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -76.96 110.99 12.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.896 -0.593 . . . . 41.399999999999999 111.078 -171.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.55 162.46 30.27 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.231 -0.895 . . . . 63.520000000000003 111.798 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.63 139.12 79.45 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.329 2.019 . . . . 71.219999999999999 111.065 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 27.0 p -68.1 97.72 0.72 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.5 0.666 . . . . 72.150000000000006 110.671 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -29.88 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.34 -0.845 . . . . 73.409999999999997 110.895 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -144.74 127.46 16.22 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.975 -0.557 . . . . 60.549999999999997 110.623 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.74 -28.46 63.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 74.239999999999995 110.198 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -52.47 -57.78 8.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.862 -0.608 . . . . 72.409999999999997 110.26 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.59 -46.72 84.53 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.181 -0.918 . . . . 71.329999999999998 110.124 -176.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.7 t -55.99 -46.8 78.59 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.466 -0.788 . . . . 72.209999999999994 110.548 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.29 84.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 72.349999999999994 111.181 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 t -58.21 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 74.310000000000002 110.573 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.53 -50.33 80.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.222 0.534 . . . . 62.399999999999999 110.168 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -56.57 -29.61 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 71.129999999999995 111.08 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.12 -48.39 24.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.462 0.172 . . . . 75.430000000000007 110.698 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.8 p -59.4 -29.16 67.54 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.906 -0.318 . . . . 74.129999999999995 110.464 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -80.75 -56.06 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.152 0.501 . . . . 75.140000000000001 110.409 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -126.27 92.79 3.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.582 -0.735 . . . . 75.439999999999998 110.215 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -61.61 88.1 0.02 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.085 0.469 . . . . 70.409999999999997 110.806 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -164.75 -89.46 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.365 -0.834 . . . . 61.340000000000003 110.374 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.5 150.85 23.14 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.356 -0.926 . . . . 71.129999999999995 112.688 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.61 148.01 19.36 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.438 -0.665 . . . . 42.119999999999997 111.438 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' HG3' ' H ' ' A' ' 34' ' ' CYS . 12.9 tpt180 -163.09 179.85 7.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.929 0.365 . . . . 71.040000000000006 110.204 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.614 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 69.9 m -114.15 116.0 28.4 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.403 -0.591 . . . . 61.240000000000002 109.403 177.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.519 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 3.7 tpm_? -114.68 115.51 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.26 0.552 . . . . 63.530000000000001 110.012 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.59 153.74 10.01 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.234 -0.894 . . . . 55.119999999999997 112.176 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.2 -30.86 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.605 0.362 . . . . 71.209999999999994 111.283 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -82.11 16.22 2.04 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.271 0.471 . . . . 72.200000000000003 112.271 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 61.41 29.38 18.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.579 0.228 . . . . 73.430000000000007 111.452 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' HG2' ' NE2' ' A' ' 6' ' ' GLN . 0.6 OUTLIER -75.45 124.8 27.78 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.496 -0.32 . . . . 72.230000000000004 110.329 -177.411 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 10.5 m -76.99 120.22 21.8 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.176 0.512 . . . . 74.340000000000003 112.053 -176.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 35' ' ' ARG . 22.0 m-85 -114.59 146.54 40.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 62.530000000000001 109.238 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.1 m -114.83 140.86 48.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.197 -0.456 . . . . 45.240000000000002 111.047 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.5 p -114.73 114.82 26.13 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.94 -0.763 . . . . 64.040000000000006 108.94 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -129.34 160.63 32.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 63.210000000000001 110.223 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -71.22 127.32 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.268 -0.641 . . . . 74.200000000000003 109.268 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.541 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 12.3 m . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.674 -0.679 . . . . 63.219999999999999 110.776 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.754 -0.461 . . . . 73.409999999999997 109.754 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -104.18 116.2 31.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.973 0.416 . . . . 75.209999999999994 110.664 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.6 m -117.05 124.34 49.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.264 -0.643 . . . . 53.210000000000001 109.264 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -120.74 162.58 19.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.299 0.571 . . . . 75.400000000000006 111.075 -175.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -147.83 -174.54 4.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 44.329999999999998 108.905 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -114.66 144.29 43.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.678 -0.489 . . . . 73.040000000000006 109.678 -176.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.8 p -114.6 102.56 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.379 0.609 . . . . 64.319999999999993 110.45 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -107.83 -4.6 17.88 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.434 -0.803 . . . . 73.109999999999999 110.714 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.33 -29.79 69.45 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.042 0.449 . . . . 60.140000000000001 110.451 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.93 136.36 57.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.758 . . . . 72.329999999999998 110.193 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.1 86.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 41.399999999999999 111.219 -174.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.21 -173.78 37.92 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.88 -0.6 . . . . 63.520000000000003 112.191 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.94 162.38 22.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.799 2.332 . . . . 71.219999999999999 111.986 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 14.2 t -57.2 92.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 72.150000000000006 111.54 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.45 95.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.336 0.589 . . . . 73.409999999999997 109.564 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 m -153.11 135.47 15.03 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.311 -0.858 . . . . 60.549999999999997 109.52 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 10.9 p-10 -55.77 -41.88 74.71 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.288 -0.414 . . . . 74.239999999999995 109.912 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -56.99 -39.05 73.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 72.409999999999997 109.822 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.449 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.9 OUTLIER -67.54 -55.51 13.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.637 -0.711 . . . . 71.329999999999998 110.299 -178.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.01 -40.79 94.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.163 -0.471 . . . . 72.209999999999994 110.154 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . . . -62.71 -49.15 76.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.815 -0.63 . . . . 72.349999999999994 110.478 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' THR . 17.7 t -56.61 -48.13 78.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 74.310000000000002 110.128 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.21 -49.86 82.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 CA-C-N 116.008 -0.542 . . . . 62.399999999999999 110.582 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.8 t -59.35 -28.54 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 71.129999999999995 110.295 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 98.4 mt-30 -86.92 -21.26 26.39 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.238 -0.437 . . . . 75.430000000000007 111.535 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' SER . 41.0 p -78.09 -30.38 49.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.879 0.371 . . . . 74.129999999999995 110.074 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.93 -40.41 12.4 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.187 -0.46 . . . . 75.140000000000001 111.522 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.532 ' O ' ' HA ' ' A' ' 25' ' ' GLN . 3.2 mmp_? -141.74 175.18 9.91 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.905 0.384 . . . . 75.439999999999998 111.075 -174.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.29 91.75 4.64 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.732 -0.84 . . . . 70.409999999999997 108.732 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.526 ' HB3' ' HB ' ' A' ' 45' ' ' THR . 6.5 p -165.46 115.28 1.05 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.787 -1.097 . . . . 61.340000000000003 108.836 -175.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 43' ' ' CYS . . . -58.76 144.94 43.66 Favored Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.653 -0.703 . . . . 71.129999999999995 111.791 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 21' ' ' ALA . . . -114.71 133.07 10.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.803 -0.713 . . . . 42.119999999999997 112.226 -175.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.68 161.7 34.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.374 -0.973 . . . . 71.040000000000006 108.374 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 73.5 m -114.61 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.069 -0.394 . . . . 61.240000000000002 110.605 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -135.8 169.28 17.81 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.609 -0.723 . . . . 63.530000000000001 109.764 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.56 32.88 79.63 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.369 -0.444 . . . . 55.119999999999997 112.533 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 t80 52.29 79.53 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.785 0.434 . . . . 71.209999999999994 110.723 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 14' ' ' CYS . 8.0 mpt_? 67.86 -32.33 0.2 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.756 1.021 . . . . 72.200000000000003 113.756 -178.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -64.63 -39.12 93.15 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.304 0.483 . . . . 73.430000000000007 112.304 -168.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -112.74 158.99 19.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.265 0.555 . . . . 72.230000000000004 111.771 -177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.7 t -139.01 139.53 37.89 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.628 -0.878 . . . . 74.340000000000003 108.628 171.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -132.31 146.05 51.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.307 . . . . 62.530000000000001 110.478 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 89.0 m -114.9 133.96 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 45.240000000000002 110.487 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 4' ' ' GLU . 25.5 p -114.69 125.82 54.16 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.312 -0.404 . . . . 64.040000000000006 110.01 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 30' ' ' SER . 12.3 t -117.89 152.69 34.91 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.956 -0.565 . . . . 63.210000000000001 110.1 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -68.15 96.8 0.66 Allowed 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.967 -0.753 . . . . 74.200000000000003 108.967 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.689 -0.672 . . . . 63.219999999999999 110.21 -175.267 . . . . . . . . 0 0 . 1 stop_ save_